4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C24H23N3O — CID 56933964

IUPAC4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(Nc3cccc(C)c3)nc3c2CCCC3)cc1
InChIInChI=1S/C24H23N3O/c1-16-6-5-7-18(14-16)26-24-21(15-25)23(17-10-12-19(28-2)13-11-17)20-8-3-4-9-22(20)27-24/h5-7,10-14H,3-4,8-9H2,1-2H3,(H,26,27)
InChIKeyGAJMWTMVNJRIEL-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.56
Rot. Bonds4

About 4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 56933964) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID56933964
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(Nc3cccc(C)c3)nc3c2CCCC3)cc1
InChIInChI=1S/C24H23N3O/c1-16-6-5-7-18(14-16)26-24-21(15-25)23(17-10-12-19(28-2)13-11-17)20-8-3-4-9-22(20)27-24/h5-7,10-14H,3-4,8-9H2,1-2H3,(H,26,27)
InChIKeyGAJMWTMVNJRIEL-UHFFFAOYSA-N
XLogP5.56
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 16723952
2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 127046652
2-amino-4-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635461
4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56933567
2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
CID 783110
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23968911
N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide
CID 711450
4-(3-methoxyanilino)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 7718759
2-(benzylamino)-4-(4-bromophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 139087167
(8Z)-2-anilino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 139232728
2-amino-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 662688
2-amino-4-(2,5-dimethoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 5156796

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 56933964) is 4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is COc1ccc(-c2c(C#N)c(Nc3cccc(C)c3)nc3c2CCCC3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is GAJMWTMVNJRIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-16-6-5-7-18(14-16)26-24-21(15-25)23(17-10-12-19(28-2)13-11-17)20-8-3-4-9-22(20)27-24/h5-7,10-14H,3-4,8-9H2,1-2H3,(H,26,27).
What are the key properties of 4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 369.47 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 56933964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).