4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide

C23H21N3O — CID 46308049

IUPAC4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(N(C)C)cc2)c2ccc3ccccc3c2n1
InChIInChI=1S/C23H21N3O/c1-15-14-21(25-23(27)17-8-11-18(12-9-17)26(2)3)20-13-10-16-6-4-5-7-19(16)22(20)24-15/h4-14H,1-3H3,(H,24,25,27)
InChIKeyVUCWMSQCWYQJQQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.01
Rot. Bonds3

About 4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide

4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide (PubChem CID 46308049) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide
PubChem CID46308049
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(N(C)C)cc2)c2ccc3ccccc3c2n1
InChIInChI=1S/C23H21N3O/c1-15-14-21(25-23(27)17-8-11-18(12-9-17)26(2)3)20-13-10-16-6-4-5-7-19(16)22(20)24-15/h4-14H,1-3H3,(H,24,25,27)
InChIKeyVUCWMSQCWYQJQQ-UHFFFAOYSA-N
XLogP5.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide 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

4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide
CID 46308068
4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide
CID 60653502
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methylbenzo[h]quinolin-4-yl)propanamide
CID 51975698
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzamide
CID 136836269
4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide
CID 43860369
3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid
CID 24695586
2,3-dimethyl-N-(2-methylquinolin-4-yl)quinoxaline-6-carboxamide
CID 29152059
N-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide
CID 46308052
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide
CID 108745006
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide
CID 59474775

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide (CID 46308049) is 4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide is Cc1cc(NC(=O)c2ccc(N(C)C)cc2)c2ccc3ccccc3c2n1.
What is the InChIKey of 4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide?
The InChIKey is VUCWMSQCWYQJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-15-14-21(25-23(27)17-8-11-18(12-9-17)26(2)3)20-13-10-16-6-4-5-7-19(16)22(20)24-15/h4-14H,1-3H3,(H,24,25,27).
What are the key properties of 4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide?
4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide has a molecular weight of 355.44 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide is sourced from PubChem (CID 46308049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).