N-[(2S,4R)-1-acetyl-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;N-[(2S,4R)-1-acetyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2-methylpropan-1-one;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C119H156N18O8 — CID 159501776

IUPACN-[(2S,4R)-1-acetyl-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;N-[(2S,4R)-1-acetyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2-methylpropan-1-one;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3ccc(C(=O)C(C)C)cc3)cc2[C@H](Nc2ccc(C)cc2)C[C@@H]1C.CNCCn1cc(-c2ccc3c(c2)[C@H](NC(=O)C(C)C)C[C@H](C)N3C(C)=O)cn1.CNCCn1cc(-c2ccc3c(c2)[C@H](NC(C)C)C[C@H](C)N3C(C)=O)cn1.CNCc1ccc(-c2ccc3c(c2)[C@H](NC(=O)C(C)C)C[C@H](C)N3C(C)=O)cc1.CNCc1ccc(-c2ccc3c(c2)[C@H](NC(C)C)C[C@H](C)N3C(C)=O)cc1
InChIInChI=1S/C29H32N2O2.C24H31N3O2.C23H31N3O.C22H31N5O2.C21H31N5O/c1-18(2)29(33)23-10-8-22(9-11-23)24-12-15-28-26(17-24)27(16-20(4)31(28)21(5)32)30-25-13-6-19(3)7-14-25;1-15(2)24(29)26-22-12-16(3)27(17(4)28)23-11-10-20(13-21(22)23)19-8-6-18(7-9-19)14-25-5;1-15(2)25-22-12-16(3)26(17(4)27)23-11-10-20(13-21(22)23)19-8-6-18(7-9-19)14-24-5;1-14(2)22(29)25-20-10-15(3)27(16(4)28)21-7-6-17(11-19(20)21)18-12-24-26(13-18)9-8-23-5;1-14(2)24-20-10-15(3)26(16(4)27)21-7-6-17(11-19(20)21)18-12-23-25(13-18)9-8-22-5/h6-15,17-18,20,27,30H,16H2,1-5H3;6-11,13,15-16,22,25H,12,14H2,1-5H3,(H,26,29);6-11,13,15-16,22,24-25H,12,14H2,1-5H3;6-7,11-15,20,23H,8-10H2,1-5H3,(H,25,29);6-7,11-15,20,22,24H,8-10H2,1-5H3/t20-,27+;2*16-,22+;2*15-,20+/m00000/s1
InChIKeyLZMAPWSXVTYBRQ-SSEXIWGVSA-N
MW1966.67 g/mol
LogP20.77
Rot. Bonds27

About N-[(2S,4R)-1-acetyl-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;N-[(2S,4R)-1-acetyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2-methylpropan-1-one;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone

N-[(2S,4R)-1-acetyl-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;N-[(2S,4R)-1-acetyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2-methylpropan-1-one;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 159501776) has the molecular formula C119H156N18O8 and a molecular weight of 1966.67 g/mol. Its IUPAC name is N-[(2S,4R)-1-acetyl-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;N-[(2S,4R)-1-acetyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2-methylpropan-1-one;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound NameN-[(2S,4R)-1-acetyl-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;N-[(2S,4R)-1-acetyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2-methylpropan-1-one;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID159501776
Molecular FormulaC119H156N18O8
Molecular Weight1966.67 g/mol
Exact Mass1965.24
IUPAC NameN-[(2S,4R)-1-acetyl-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;N-[(2S,4R)-1-acetyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2-methylpropan-1-one;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3ccc(C(=O)C(C)C)cc3)cc2[C@H](Nc2ccc(C)cc2)C[C@@H]1C.CNCCn1cc(-c2ccc3c(c2)[C@H](NC(=O)C(C)C)C[C@H](C)N3C(C)=O)cn1.CNCCn1cc(-c2ccc3c(c2)[C@H](NC(C)C)C[C@H](C)N3C(C)=O)cn1.CNCc1ccc(-c2ccc3c(c2)[C@H](NC(=O)C(C)C)C[C@H](C)N3C(C)=O)cc1.CNCc1ccc(-c2ccc3c(c2)[C@H](NC(C)C)C[C@H](C)N3C(C)=O)cc1
InChIInChI=1S/C29H32N2O2.C24H31N3O2.C23H31N3O.C22H31N5O2.C21H31N5O/c1-18(2)29(33)23-10-8-22(9-11-23)24-12-15-28-26(17-24)27(16-20(4)31(28)21(5)32)30-25-13-6-19(3)7-14-25;1-15(2)24(29)26-22-12-16(3)27(17(4)28)23-11-10-20(13-21(22)23)19-8-6-18(7-9-19)14-25-5;1-15(2)25-22-12-16(3)26(17(4)27)23-11-10-20(13-21(22)23)19-8-6-18(7-9-19)14-24-5;1-14(2)22(29)25-20-10-15(3)27(16(4)28)21-7-6-17(11-19(20)21)18-12-24-26(13-18)9-8-23-5;1-14(2)24-20-10-15(3)26(16(4)27)21-7-6-17(11-19(20)21)18-12-23-25(13-18)9-8-22-5/h6-15,17-18,20,27,30H,16H2,1-5H3;6-11,13,15-16,22,25H,12,14H2,1-5H3,(H,26,29);6-11,13,15-16,22,24-25H,12,14H2,1-5H3;6-7,11-15,20,23H,8-10H2,1-5H3,(H,25,29);6-7,11-15,20,22,24H,8-10H2,1-5H3/t20-,27+;2*16-,22+;2*15-,20+/m00000/s1
InChIKeyLZMAPWSXVTYBRQ-SSEXIWGVSA-N
XLogP20.77
TPSA296.67 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds27
Heavy Atoms145
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001966.67
LogP ≤ 520.77
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze N-[(2S,4R)-1-acetyl-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;N-[(2S,4R)-1-acetyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2-methylpropan-1-one;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-1-acetyl-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;N-[(2S,4R)-1-acetyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2-methylpropan-1-one;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of N-[(2S,4R)-1-acetyl-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;N-[(2S,4R)-1-acetyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2-methylpropan-1-one;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 159501776) is N-[(2S,4R)-1-acetyl-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;N-[(2S,4R)-1-acetyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2-methylpropan-1-one;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for N-[(2S,4R)-1-acetyl-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;N-[(2S,4R)-1-acetyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2-methylpropan-1-one;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for N-[(2S,4R)-1-acetyl-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;N-[(2S,4R)-1-acetyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2-methylpropan-1-one;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(-c3ccc(C(=O)C(C)C)cc3)cc2[C@H](Nc2ccc(C)cc2)C[C@@H]1C.CNCCn1cc(-c2ccc3c(c2)[C@H](NC(=O)C(C)C)C[C@H](C)N3C(C)=O)cn1.CNCCn1cc(-c2ccc3c(c2)[C@H](NC(C)C)C[C@H](C)N3C(C)=O)cn1.CNCc1ccc(-c2ccc3c(c2)[C@H](NC(=O)C(C)C)C[C@H](C)N3C(C)=O)cc1.CNCc1ccc(-c2ccc3c(c2)[C@H](NC(C)C)C[C@H](C)N3C(C)=O)cc1.
What is the InChIKey of N-[(2S,4R)-1-acetyl-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;N-[(2S,4R)-1-acetyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2-methylpropan-1-one;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is LZMAPWSXVTYBRQ-SSEXIWGVSA-N. The full InChI is InChI=1S/C29H32N2O2.C24H31N3O2.C23H31N3O.C22H31N5O2.C21H31N5O/c1-18(2)29(33)23-10-8-22(9-11-23)24-12-15-28-26(17-24)27(16-20(4)31(28)21(5)32)30-25-13-6-19(3)7-14-25;1-15(2)24(29)26-22-12-16(3)27(17(4)28)23-11-10-20(13-21(22)23)19-8-6-18(7-9-19)14-25-5;1-15(2)25-22-12-16(3)26(17(4)27)23-11-10-20(13-21(22)23)19-8-6-18(7-9-19)14-24-5;1-14(2)22(29)25-20-10-15(3)27(16(4)28)21-7-6-17(11-19(20)21)18-12-24-26(13-18)9-8-23-5;1-14(2)24-20-10-15(3)26(16(4)27)21-7-6-17(11-19(20)21)18-12-23-25(13-18)9-8-22-5/h6-15,17-18,20,27,30H,16H2,1-5H3;6-11,13,15-16,22,25H,12,14H2,1-5H3,(H,26,29);6-11,13,15-16,22,24-25H,12,14H2,1-5H3;6-7,11-15,20,23H,8-10H2,1-5H3,(H,25,29);6-7,11-15,20,22,24H,8-10H2,1-5H3/t20-,27+;2*16-,22+;2*15-,20+/m00000/s1.
What are the key properties of N-[(2S,4R)-1-acetyl-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;N-[(2S,4R)-1-acetyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2-methylpropan-1-one;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
N-[(2S,4R)-1-acetyl-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;N-[(2S,4R)-1-acetyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2-methylpropan-1-one;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 1966.67 g/mol, XLogP of 20.77, 27 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-1-acetyl-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;N-[(2S,4R)-1-acetyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]-2-methylpropanamide;1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2-methylpropan-1-one;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 159501776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).