1-[6-acetyl-9-[2-(butan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-2,7-dihydroxy-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(ethylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(methylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(propylamino)ethyl]carbazol-3-yl]ethanone

C103H116N10O12 — CID 159813836

IUPAC1-[6-acetyl-9-[2-(butan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-2,7-dihydroxy-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(ethylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(methylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(propylamino)ethyl]carbazol-3-yl]ethanone
SMILESCC(=O)c1cc2c3cc(C(C)=O)c(O)cc3n(CCNC(C)C)c2cc1O.CCC(C)NCCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21.CCCNCCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21.CCNCCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21.CNCCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21
InChIInChI=1S/C22H26N2O2.C21H24N2O4.C21H24N2O2.C20H22N2O2.C19H20N2O2/c1-5-14(2)23-10-11-24-21-8-6-17(15(3)25)12-19(21)20-13-18(16(4)26)7-9-22(20)24;1-11(2)22-5-6-23-18-9-20(26)14(12(3)24)7-16(18)17-8-15(13(4)25)21(27)10-19(17)23;1-4-9-22-10-11-23-20-7-5-16(14(2)24)12-18(20)19-13-17(15(3)25)6-8-21(19)23;1-4-21-9-10-22-19-7-5-15(13(2)23)11-17(19)18-12-16(14(3)24)6-8-20(18)22;1-12(22)14-4-6-18-16(10-14)17-11-15(13(2)23)5-7-19(17)21(18)9-8-20-3/h6-9,12-14,23H,5,10-11H2,1-4H3;7-11,22,26-27H,5-6H2,1-4H3;5-8,12-13,22H,4,9-11H2,1-3H3;5-8,11-12,21H,4,9-10H2,1-3H3;4-7,10-11,20H,8-9H2,1-3H3
InChIKeyNLJCVCXSUMHBGE-UHFFFAOYSA-N
MW1686.12 g/mol
LogP19.62
Rot. Bonds31

About 1-[6-acetyl-9-[2-(butan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-2,7-dihydroxy-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(ethylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(methylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(propylamino)ethyl]carbazol-3-yl]ethanone

1-[6-acetyl-9-[2-(butan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-2,7-dihydroxy-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(ethylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(methylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(propylamino)ethyl]carbazol-3-yl]ethanone (PubChem CID 159813836) has the molecular formula C103H116N10O12 and a molecular weight of 1686.12 g/mol. Its IUPAC name is 1-[6-acetyl-9-[2-(butan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-2,7-dihydroxy-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(ethylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(methylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(propylamino)ethyl]carbazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-acetyl-9-[2-(butan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-2,7-dihydroxy-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(ethylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(methylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(propylamino)ethyl]carbazol-3-yl]ethanone
PubChem CID159813836
Molecular FormulaC103H116N10O12
Molecular Weight1686.12 g/mol
Exact Mass1684.88
IUPAC Name1-[6-acetyl-9-[2-(butan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-2,7-dihydroxy-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(ethylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(methylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(propylamino)ethyl]carbazol-3-yl]ethanone
SMILESCC(=O)c1cc2c3cc(C(C)=O)c(O)cc3n(CCNC(C)C)c2cc1O.CCC(C)NCCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21.CCCNCCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21.CCNCCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21.CNCCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21
InChIInChI=1S/C22H26N2O2.C21H24N2O4.C21H24N2O2.C20H22N2O2.C19H20N2O2/c1-5-14(2)23-10-11-24-21-8-6-17(15(3)25)12-19(21)20-13-18(16(4)26)7-9-22(20)24;1-11(2)22-5-6-23-18-9-20(26)14(12(3)24)7-16(18)17-8-15(13(4)25)21(27)10-19(17)23;1-4-9-22-10-11-23-20-7-5-16(14(2)24)12-18(20)19-13-17(15(3)25)6-8-21(19)23;1-4-21-9-10-22-19-7-5-15(13(2)23)11-17(19)18-12-16(14(3)24)6-8-20(18)22;1-12(22)14-4-6-18-16(10-14)17-11-15(13(2)23)5-7-19(17)21(18)9-8-20-3/h6-9,12-14,23H,5,10-11H2,1-4H3;7-11,22,26-27H,5-6H2,1-4H3;5-8,12-13,22H,4,9-11H2,1-3H3;5-8,11-12,21H,4,9-10H2,1-3H3;4-7,10-11,20H,8-9H2,1-3H3
InChIKeyNLJCVCXSUMHBGE-UHFFFAOYSA-N
XLogP19.62
TPSA295.96 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001686.12
LogP ≤ 519.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[6-acetyl-9-[2-(butan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-2,7-dihydroxy-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(ethylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(methylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(propylamino)ethyl]carbazol-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-acetyl-9-[2-(butan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-2,7-dihydroxy-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(ethylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(methylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(propylamino)ethyl]carbazol-3-yl]ethanone?
The IUPAC name of 1-[6-acetyl-9-[2-(butan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-2,7-dihydroxy-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(ethylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(methylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(propylamino)ethyl]carbazol-3-yl]ethanone (CID 159813836) is 1-[6-acetyl-9-[2-(butan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-2,7-dihydroxy-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(ethylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(methylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(propylamino)ethyl]carbazol-3-yl]ethanone.
What is the SMILES notation for 1-[6-acetyl-9-[2-(butan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-2,7-dihydroxy-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(ethylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(methylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(propylamino)ethyl]carbazol-3-yl]ethanone?
The canonical SMILES for 1-[6-acetyl-9-[2-(butan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-2,7-dihydroxy-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(ethylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(methylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(propylamino)ethyl]carbazol-3-yl]ethanone is CC(=O)c1cc2c3cc(C(C)=O)c(O)cc3n(CCNC(C)C)c2cc1O.CCC(C)NCCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21.CCCNCCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21.CCNCCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21.CNCCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21.
What is the InChIKey of 1-[6-acetyl-9-[2-(butan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-2,7-dihydroxy-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(ethylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(methylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(propylamino)ethyl]carbazol-3-yl]ethanone?
The InChIKey is NLJCVCXSUMHBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.C21H24N2O4.C21H24N2O2.C20H22N2O2.C19H20N2O2/c1-5-14(2)23-10-11-24-21-8-6-17(15(3)25)12-19(21)20-13-18(16(4)26)7-9-22(20)24;1-11(2)22-5-6-23-18-9-20(26)14(12(3)24)7-16(18)17-8-15(13(4)25)21(27)10-19(17)23;1-4-9-22-10-11-23-20-7-5-16(14(2)24)12-18(20)19-13-17(15(3)25)6-8-21(19)23;1-4-21-9-10-22-19-7-5-15(13(2)23)11-17(19)18-12-16(14(3)24)6-8-20(18)22;1-12(22)14-4-6-18-16(10-14)17-11-15(13(2)23)5-7-19(17)21(18)9-8-20-3/h6-9,12-14,23H,5,10-11H2,1-4H3;7-11,22,26-27H,5-6H2,1-4H3;5-8,12-13,22H,4,9-11H2,1-3H3;5-8,11-12,21H,4,9-10H2,1-3H3;4-7,10-11,20H,8-9H2,1-3H3.
What are the key properties of 1-[6-acetyl-9-[2-(butan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-2,7-dihydroxy-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(ethylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(methylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(propylamino)ethyl]carbazol-3-yl]ethanone?
1-[6-acetyl-9-[2-(butan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-2,7-dihydroxy-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(ethylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(methylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(propylamino)ethyl]carbazol-3-yl]ethanone has a molecular weight of 1686.12 g/mol, XLogP of 19.62, 31 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-acetyl-9-[2-(butan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-2,7-dihydroxy-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(ethylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(methylamino)ethyl]carbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(propylamino)ethyl]carbazol-3-yl]ethanone is sourced from PubChem (CID 159813836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).