N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide

C30H22N4O — CID 170005207

IUPACN-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide
SMILESC#Cc1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccccc5)cc4)cc3)c2c1
InChIInChI=1S/C30H22N4O/c1-2-21-8-17-28-27(20-21)29(18-19-31-28)33-25-11-9-22(10-12-25)30(35)34-26-15-13-24(14-16-26)32-23-6-4-3-5-7-23/h1,3-20,32H,(H,31,33)(H,34,35)
InChIKeySRWILEJFHUUAFH-UHFFFAOYSA-N
MW454.53 g/mol
LogP6.96
Rot. Bonds6

About N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide

N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide (PubChem CID 170005207) has the molecular formula C30H22N4O and a molecular weight of 454.53 g/mol. Its IUPAC name is N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide
PubChem CID170005207
Molecular FormulaC30H22N4O
Molecular Weight454.53 g/mol
Exact Mass454.18
IUPAC NameN-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide
SMILESC#Cc1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccccc5)cc4)cc3)c2c1
InChIInChI=1S/C30H22N4O/c1-2-21-8-17-28-27(20-21)29(18-19-31-28)33-25-11-9-22(10-12-25)30(35)34-26-15-13-24(14-16-26)32-23-6-4-3-5-7-23/h1,3-20,32H,(H,31,33)(H,34,35)
InChIKeySRWILEJFHUUAFH-UHFFFAOYSA-N
XLogP6.96
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-ethynylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 163915964
N-phenyl-4-(quinolin-4-ylamino)benzamide
CID 58472461
N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157044000
4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide
CID 170005617
N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide
CID 142700397
N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide
CID 170001829
4-[(6-cyanoquinolin-4-yl)amino]-N-[3-phosphanyl-5-(pyridin-4-ylamino)phenyl]benzamide
CID 170232036
3-[(1-methylpyridin-1-ium-4-yl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide
CID 24858115
methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 170005441
4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid
CID 157295084
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 170225786

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide?
The IUPAC name of N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide (CID 170005207) is N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide?
The canonical SMILES for N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide is C#Cc1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccccc5)cc4)cc3)c2c1.
What is the InChIKey of N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide?
The InChIKey is SRWILEJFHUUAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O/c1-2-21-8-17-28-27(20-21)29(18-19-31-28)33-25-11-9-22(10-12-25)30(35)34-26-15-13-24(14-16-26)32-23-6-4-3-5-7-23/h1,3-20,32H,(H,31,33)(H,34,35).
What are the key properties of N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide?
N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide has a molecular weight of 454.53 g/mol, XLogP of 6.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide is sourced from PubChem (CID 170005207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).