2-methoxy-8-methyl-4-(4-methylphenyl)-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carbonitrile

C25H21N3O — CID 139177966

IUPAC2-methoxy-8-methyl-4-(4-methylphenyl)-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carbonitrile
SMILESCOc1nc2c(c(-c3ccc(C)cc3)c1C#N)CCc1c-2[nH]c2ccc(C)cc12
InChIInChI=1S/C25H21N3O/c1-14-4-7-16(8-5-14)22-18-10-9-17-19-12-15(2)6-11-21(19)27-23(17)24(18)28-25(29-3)20(22)13-26/h4-8,11-12,27H,9-10H2,1-3H3
InChIKeyQTGKMGZJCXCDDD-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.49
Rot. Bonds2

About 2-methoxy-8-methyl-4-(4-methylphenyl)-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carbonitrile

2-methoxy-8-methyl-4-(4-methylphenyl)-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carbonitrile (PubChem CID 139177966) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-methoxy-8-methyl-4-(4-methylphenyl)-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-8-methyl-4-(4-methylphenyl)-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carbonitrile
PubChem CID139177966
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name2-methoxy-8-methyl-4-(4-methylphenyl)-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carbonitrile
SMILESCOc1nc2c(c(-c3ccc(C)cc3)c1C#N)CCc1c-2[nH]c2ccc(C)cc12
InChIInChI=1S/C25H21N3O/c1-14-4-7-16(8-5-14)22-18-10-9-17-19-12-15(2)6-11-21(19)27-23(17)24(18)28-25(29-3)20(22)13-26/h4-8,11-12,27H,9-10H2,1-3H3
InChIKeyQTGKMGZJCXCDDD-UHFFFAOYSA-N
XLogP5.49
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 2826301
2,8-dimethoxy-4-[4-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 2737973
3-methoxy-8-methyl-6,11-dihydro-5H-benzo[a]carbazole
CID 54511080
4-(4-fluorophenyl)-2-methoxy-5H-pyrido[3,2-b]indole-3-carbonitrile
CID 171985974
2-(6-methyl-2,3,4,9-tetrahydrocarbazol-1-ylidene)propanedinitrile
CID 86092413
6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 13295735
(3R,3aS)-3-(4-methoxyphenyl)-7-methyl-2,3,3a,4,5,10-hexahydropyrazolo[3,4-a]carbazole
CID 135778726
(3S,3aS)-3-(4-methoxyphenyl)-7-methyl-2,3,3a,4,5,10-hexahydropyrazolo[3,4-a]carbazole
CID 135726808
4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56933964
1-[(4-methoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 11792145
6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 10641600
2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
CID 783110

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-methyl-4-(4-methylphenyl)-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carbonitrile?
The IUPAC name of 2-methoxy-8-methyl-4-(4-methylphenyl)-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carbonitrile (CID 139177966) is 2-methoxy-8-methyl-4-(4-methylphenyl)-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carbonitrile.
What is the SMILES notation for 2-methoxy-8-methyl-4-(4-methylphenyl)-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carbonitrile?
The canonical SMILES for 2-methoxy-8-methyl-4-(4-methylphenyl)-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carbonitrile is COc1nc2c(c(-c3ccc(C)cc3)c1C#N)CCc1c-2[nH]c2ccc(C)cc12.
What is the InChIKey of 2-methoxy-8-methyl-4-(4-methylphenyl)-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carbonitrile?
The InChIKey is QTGKMGZJCXCDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c1-14-4-7-16(8-5-14)22-18-10-9-17-19-12-15(2)6-11-21(19)27-23(17)24(18)28-25(29-3)20(22)13-26/h4-8,11-12,27H,9-10H2,1-3H3.
What are the key properties of 2-methoxy-8-methyl-4-(4-methylphenyl)-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carbonitrile?
2-methoxy-8-methyl-4-(4-methylphenyl)-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carbonitrile has a molecular weight of 379.46 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-methyl-4-(4-methylphenyl)-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carbonitrile is sourced from PubChem (CID 139177966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).