N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide

C24H22N4O — CID 142700397

IUPACN-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide
SMILESCN(C)c1ccc2nccc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2c1
InChIInChI=1S/C24H22N4O/c1-28(2)20-12-13-22-21(16-20)23(14-15-25-22)26-18-8-10-19(11-9-18)27-24(29)17-6-4-3-5-7-17/h3-16H,1-2H3,(H,25,26)(H,27,29)
InChIKeyDITKVXFUYITUDO-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.30
Rot. Bonds5

About N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide

N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide (PubChem CID 142700397) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide
PubChem CID142700397
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide
SMILESCN(C)c1ccc2nccc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2c1
InChIInChI=1S/C24H22N4O/c1-28(2)20-12-13-22-21(16-20)23(14-15-25-22)26-18-8-10-19(11-9-18)27-24(29)17-6-4-3-5-7-17/h3-16H,1-2H3,(H,25,26)(H,27,29)
InChIKeyDITKVXFUYITUDO-UHFFFAOYSA-N
XLogP5.30
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]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

N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide chloride
CID 71659966
N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide
CID 157044230
N-[3-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-4-[[6-(dimethylamino)quinolin-4-yl]amino]benzamide;dihydrochloride
CID 86621649
N-phenyl-4-(quinolin-4-ylamino)benzamide
CID 58472461
4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde
CID 157043577
N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide
CID 170005207
N-[4-[bis(2-chloroethyl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide
CID 3025709
4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid
CID 157295084
6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide
CID 157044051
methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 170005441
methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate
CID 157189950
4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide
CID 170005617

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide?
The IUPAC name of N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide (CID 142700397) is N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide?
The canonical SMILES for N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide is CN(C)c1ccc2nccc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2c1.
What is the InChIKey of N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide?
The InChIKey is DITKVXFUYITUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-28(2)20-12-13-22-21(16-20)23(14-15-25-22)26-18-8-10-19(11-9-18)27-24(29)17-6-4-3-5-7-17/h3-16H,1-2H3,(H,25,26)(H,27,29).
What are the key properties of N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide?
N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide has a molecular weight of 382.47 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide is sourced from PubChem (CID 142700397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).