N-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide

C27H28N4O3 — CID 57174436

IUPACN-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide
SMILESCOc1cc2ccc(Nc3cc(NC(=O)c4cccc(N(C)C)c4)ccc3C)nc2cc1OC
InChIInChI=1S/C27H28N4O3/c1-17-9-11-20(28-27(32)19-7-6-8-21(13-19)31(2)3)15-22(17)29-26-12-10-18-14-24(33-4)25(34-5)16-23(18)30-26/h6-16H,1-5H3,(H,28,32)(H,29,30)
InChIKeyNHPNJDXMCXVIPY-UHFFFAOYSA-N
MW456.55 g/mol
LogP5.62
Rot. Bonds7

About N-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide

N-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide (PubChem CID 57174436) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide
PubChem CID57174436
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide
SMILESCOc1cc2ccc(Nc3cc(NC(=O)c4cccc(N(C)C)c4)ccc3C)nc2cc1OC
InChIInChI=1S/C27H28N4O3/c1-17-9-11-20(28-27(32)19-7-6-8-21(13-19)31(2)3)15-22(17)29-26-12-10-18-14-24(33-4)25(34-5)16-23(18)30-26/h6-16H,1-5H3,(H,28,32)(H,29,30)
InChIKeyNHPNJDXMCXVIPY-UHFFFAOYSA-N
XLogP5.62
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)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

3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363
N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide
CID 22594113
N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide
CID 22291047
N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 151119860
N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide
CID 22291070
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide
CID 54439190
3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide
CID 22291123
N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide
CID 26831201
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(dimethylamino)benzamide
CID 46364150
3-(dimethylamino)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427160
3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide
CID 22057965

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide (CID 57174436) is N-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide is COc1cc2ccc(Nc3cc(NC(=O)c4cccc(N(C)C)c4)ccc3C)nc2cc1OC.
What is the InChIKey of N-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide?
The InChIKey is NHPNJDXMCXVIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-17-9-11-20(28-27(32)19-7-6-8-21(13-19)31(2)3)15-22(17)29-26-12-10-18-14-24(33-4)25(34-5)16-23(18)30-26/h6-16H,1-5H3,(H,28,32)(H,29,30).
What are the key properties of N-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide?
N-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide has a molecular weight of 456.55 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 57174436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).