1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;1-[6-acetyl-9-[3-(dimethylamino)propyl]-2,7-dimethoxycarbazol-3-yl]ethanone;1-[9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;methane

C95H124N8O12 — CID 158470426

IUPAC1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;1-[6-acetyl-9-[3-(dimethylamino)propyl]-2,7-dimethoxycarbazol-3-yl]ethanone;1-[9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;methane
SMILESC.C.C.C.CC(=O)c1ccc2c(c1)c1c3c(ccc1n2CCCN(C)C)C(=O)CC3.CCN(CC)CCn1c2ccc(C(C)=O)cc2c2c(OC)cccc21.COc1cc2c(cc1C(C)=O)c1cc(C(C)=O)c(OC)cc1n2CCC1CCCN1C.COc1cc2c(cc1C(C)=O)c1cc(C(C)=O)c(OC)cc1n2CCCN(C)C
InChIInChI=1S/C25H30N2O4.C23H28N2O4.C22H24N2O2.C21H26N2O2.4CH4/c1-15(28)18-11-20-21-12-19(16(2)29)25(31-5)14-23(21)27(22(20)13-24(18)30-4)10-8-17-7-6-9-26(17)3;1-14(26)16-10-18-19-11-17(15(2)27)23(29-6)13-21(19)25(9-7-8-24(3)4)20(18)12-22(16)28-5;1-14(25)15-5-8-19-18(13-15)22-17-7-10-21(26)16(17)6-9-20(22)24(19)12-4-11-23(2)3;1-5-22(6-2)12-13-23-18-11-10-16(15(3)24)14-17(18)21-19(23)8-7-9-20(21)25-4;;;;/h11-14,17H,6-10H2,1-5H3;10-13H,7-9H2,1-6H3;5-6,8-9,13H,4,7,10-12H2,1-3H3;7-11,14H,5-6,12-13H2,1-4H3;4*1H4
InChIKeyHGGXQZGZONJNLG-UHFFFAOYSA-N
MW1570.08 g/mol
LogP19.84
Rot. Bonds27

About 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;1-[6-acetyl-9-[3-(dimethylamino)propyl]-2,7-dimethoxycarbazol-3-yl]ethanone;1-[9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;methane

1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;1-[6-acetyl-9-[3-(dimethylamino)propyl]-2,7-dimethoxycarbazol-3-yl]ethanone;1-[9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;methane (PubChem CID 158470426) has the molecular formula C95H124N8O12 and a molecular weight of 1570.08 g/mol. Its IUPAC name is 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;1-[6-acetyl-9-[3-(dimethylamino)propyl]-2,7-dimethoxycarbazol-3-yl]ethanone;1-[9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;methane.

Molecular Properties

Compound Name1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;1-[6-acetyl-9-[3-(dimethylamino)propyl]-2,7-dimethoxycarbazol-3-yl]ethanone;1-[9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;methane
PubChem CID158470426
Molecular FormulaC95H124N8O12
Molecular Weight1570.08 g/mol
Exact Mass1568.93
IUPAC Name1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;1-[6-acetyl-9-[3-(dimethylamino)propyl]-2,7-dimethoxycarbazol-3-yl]ethanone;1-[9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;methane
SMILESC.C.C.C.CC(=O)c1ccc2c(c1)c1c3c(ccc1n2CCCN(C)C)C(=O)CC3.CCN(CC)CCn1c2ccc(C(C)=O)cc2c2c(OC)cccc21.COc1cc2c(cc1C(C)=O)c1cc(C(C)=O)c(OC)cc1n2CCC1CCCN1C.COc1cc2c(cc1C(C)=O)c1cc(C(C)=O)c(OC)cc1n2CCCN(C)C
InChIInChI=1S/C25H30N2O4.C23H28N2O4.C22H24N2O2.C21H26N2O2.4CH4/c1-15(28)18-11-20-21-12-19(16(2)29)25(31-5)14-23(21)27(22(20)13-24(18)30-4)10-8-17-7-6-9-26(17)3;1-14(26)16-10-18-19-11-17(15(2)27)23(29-6)13-21(19)25(9-7-8-24(3)4)20(18)12-22(16)28-5;1-14(25)15-5-8-19-18(13-15)22-17-7-10-21(26)16(17)6-9-20(22)24(19)12-4-11-23(2)3;1-5-22(6-2)12-13-23-18-11-10-16(15(3)24)14-17(18)21-19(23)8-7-9-20(21)25-4;;;;/h11-14,17H,6-10H2,1-5H3;10-13H,7-9H2,1-6H3;5-6,8-9,13H,4,7,10-12H2,1-3H3;7-11,14H,5-6,12-13H2,1-4H3;4*1H4
InChIKeyHGGXQZGZONJNLG-UHFFFAOYSA-N
XLogP19.84
TPSA198.32 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001570.08
LogP ≤ 519.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;1-[6-acetyl-9-[3-(dimethylamino)propyl]-2,7-dimethoxycarbazol-3-yl]ethanone;1-[9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;1-[6-acetyl-9-[3-(dimethylamino)propyl]-2,7-dimethoxycarbazol-3-yl]ethanone;1-[9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;methane?
The IUPAC name of 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;1-[6-acetyl-9-[3-(dimethylamino)propyl]-2,7-dimethoxycarbazol-3-yl]ethanone;1-[9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;methane (CID 158470426) is 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;1-[6-acetyl-9-[3-(dimethylamino)propyl]-2,7-dimethoxycarbazol-3-yl]ethanone;1-[9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;methane.
What is the SMILES notation for 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;1-[6-acetyl-9-[3-(dimethylamino)propyl]-2,7-dimethoxycarbazol-3-yl]ethanone;1-[9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;methane?
The canonical SMILES for 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;1-[6-acetyl-9-[3-(dimethylamino)propyl]-2,7-dimethoxycarbazol-3-yl]ethanone;1-[9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;methane is C.C.C.C.CC(=O)c1ccc2c(c1)c1c3c(ccc1n2CCCN(C)C)C(=O)CC3.CCN(CC)CCn1c2ccc(C(C)=O)cc2c2c(OC)cccc21.COc1cc2c(cc1C(C)=O)c1cc(C(C)=O)c(OC)cc1n2CCC1CCCN1C.COc1cc2c(cc1C(C)=O)c1cc(C(C)=O)c(OC)cc1n2CCCN(C)C.
What is the InChIKey of 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;1-[6-acetyl-9-[3-(dimethylamino)propyl]-2,7-dimethoxycarbazol-3-yl]ethanone;1-[9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;methane?
The InChIKey is HGGXQZGZONJNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4.C23H28N2O4.C22H24N2O2.C21H26N2O2.4CH4/c1-15(28)18-11-20-21-12-19(16(2)29)25(31-5)14-23(21)27(22(20)13-24(18)30-4)10-8-17-7-6-9-26(17)3;1-14(26)16-10-18-19-11-17(15(2)27)23(29-6)13-21(19)25(9-7-8-24(3)4)20(18)12-22(16)28-5;1-14(25)15-5-8-19-18(13-15)22-17-7-10-21(26)16(17)6-9-20(22)24(19)12-4-11-23(2)3;1-5-22(6-2)12-13-23-18-11-10-16(15(3)24)14-17(18)21-19(23)8-7-9-20(21)25-4;;;;/h11-14,17H,6-10H2,1-5H3;10-13H,7-9H2,1-6H3;5-6,8-9,13H,4,7,10-12H2,1-3H3;7-11,14H,5-6,12-13H2,1-4H3;4*1H4.
What are the key properties of 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;1-[6-acetyl-9-[3-(dimethylamino)propyl]-2,7-dimethoxycarbazol-3-yl]ethanone;1-[9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;methane?
1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;1-[6-acetyl-9-[3-(dimethylamino)propyl]-2,7-dimethoxycarbazol-3-yl]ethanone;1-[9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;methane has a molecular weight of 1570.08 g/mol, XLogP of 19.84, 27 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;1-[6-acetyl-9-[3-(dimethylamino)propyl]-2,7-dimethoxycarbazol-3-yl]ethanone;1-[9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;methane is sourced from PubChem (CID 158470426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).