2-hydroxy-8-methyl-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide

C25H20N2O2 — CID 14149566

IUPAC2-hydroxy-8-methyl-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccc4c5cc(C)ccc5[nH]c4c3cc2O)cc1
InChIInChI=1S/C25H20N2O2/c1-14-3-7-17(8-4-14)26-25(29)21-12-16-6-9-18-20-11-15(2)5-10-22(20)27-24(18)19(16)13-23(21)28/h3-13,27-28H,1-2H3,(H,26,29)
InChIKeyVAHCGKABSDVRBH-UHFFFAOYSA-N
MW380.45 g/mol
LogP6.05
Rot. Bonds2

About 2-hydroxy-8-methyl-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide

2-hydroxy-8-methyl-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 14149566) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-hydroxy-8-methyl-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-8-methyl-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
PubChem CID14149566
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name2-hydroxy-8-methyl-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccc4c5cc(C)ccc5[nH]c4c3cc2O)cc1
InChIInChI=1S/C25H20N2O2/c1-14-3-7-17(8-4-14)26-25(29)21-12-16-6-9-18-20-11-15(2)5-10-22(20)27-24(18)19(16)13-23(21)28/h3-13,27-28H,1-2H3,(H,26,29)
InChIKeyVAHCGKABSDVRBH-UHFFFAOYSA-N
XLogP6.05
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

11H-Benzo[a]carbazole-3-carboxamide, 2-hydroxy-N-(4-methoxyphenyl)-
CID 66572
9-Hydroxy-4-phenylpyrrolo[3,4-C]carbazole-1,3(2H,6H)-dione
CID 4369491
7-Hydroxyheptaphylline
CID 15767846
11H-Benzo[a]carbazole-3-carboxamide, 2-hydroxy-N-(4-methoxy-2-methylphenyl)-
CID 79920
20-Methoxy-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaen-14-one
CID 24971429
(1R,13S,14R)-24-(cyclopropylmethyl)-13,20-dihydroxy-4,24-diazahexacyclo[12.7.3.0^{1,13}.0^{3,11}.0^{5,10}.0^{16,21}]tetracosa-3(11),5(10),6,8,16(21),17,19-heptaene-19-carboxamide
CID 44138064
US10266491, Example 4
CID 130362493
Micromeline
CID 5278450
1-Hydroxy-N-[2-(5-hydroxy-1H-indol-3-YL)ethyl]naphthalene-2-carboxamide
CID 73438566
9-Hydroxy-5,11-dimethyl-2,6-dihydropyrido[4,3-b]carbazol-1-one
CID 13074409
2-(3,5-dimethylphenyl)-N,N-diethyl-3-[2-[4-(4-hydroxyphenyl)butylamino]ethyl]-1H-indole-5-carboxamide
CID 44293366
4-(3-aminophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CID 9997535

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-methyl-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide?
The IUPAC name of 2-hydroxy-8-methyl-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide (CID 14149566) is 2-hydroxy-8-methyl-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide.
What is the SMILES notation for 2-hydroxy-8-methyl-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide?
The canonical SMILES for 2-hydroxy-8-methyl-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide is Cc1ccc(NC(=O)c2cc3ccc4c5cc(C)ccc5[nH]c4c3cc2O)cc1.
What is the InChIKey of 2-hydroxy-8-methyl-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide?
The InChIKey is VAHCGKABSDVRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c1-14-3-7-17(8-4-14)26-25(29)21-12-16-6-9-18-20-11-15(2)5-10-22(20)27-24(18)19(16)13-23(21)28/h3-13,27-28H,1-2H3,(H,26,29).
What are the key properties of 2-hydroxy-8-methyl-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide?
2-hydroxy-8-methyl-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 6.05, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-8-methyl-N-(4-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 14149566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).