N-phenyl-4-(quinolin-4-ylamino)benzamide

C22H17N3O — CID 58472461

IUPACN-phenyl-4-(quinolin-4-ylamino)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(Nc2ccnc3ccccc23)cc1
InChIInChI=1S/C22H17N3O/c26-22(25-17-6-2-1-3-7-17)16-10-12-18(13-11-16)24-21-14-15-23-20-9-5-4-8-19(20)21/h1-15H,(H,23,24)(H,25,26)
InChIKeyNVXAJRJLDYQUBG-UHFFFAOYSA-N
MW339.40 g/mol
LogP5.23
Rot. Bonds4

About N-phenyl-4-(quinolin-4-ylamino)benzamide

N-phenyl-4-(quinolin-4-ylamino)benzamide (PubChem CID 58472461) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-phenyl-4-(quinolin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-phenyl-4-(quinolin-4-ylamino)benzamide
PubChem CID58472461
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC NameN-phenyl-4-(quinolin-4-ylamino)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(Nc2ccnc3ccccc23)cc1
InChIInChI=1S/C22H17N3O/c26-22(25-17-6-2-1-3-7-17)16-10-12-18(13-11-16)24-21-14-15-23-20-9-5-4-8-19(20)21/h1-15H,(H,23,24)(H,25,26)
InChIKeyNVXAJRJLDYQUBG-UHFFFAOYSA-N
XLogP5.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.40
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[bis(2-chloroethyl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide
CID 3025709
3-[(1-methylpyridin-1-ium-4-yl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide
CID 24858115
N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide
CID 170005207
N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide
CID 142700397
N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide
CID 166832857
4-(quinolin-5-ylamino)benzoic acid
CID 62230854
4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid
CID 157295084
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide
CID 170005617
methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 170005441
N-(4-phenoxyphenyl)quinolin-4-amine
CID 44585573
N-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide
CID 164897903

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(quinolin-4-ylamino)benzamide?
The IUPAC name of N-phenyl-4-(quinolin-4-ylamino)benzamide (CID 58472461) is N-phenyl-4-(quinolin-4-ylamino)benzamide.
What is the SMILES notation for N-phenyl-4-(quinolin-4-ylamino)benzamide?
The canonical SMILES for N-phenyl-4-(quinolin-4-ylamino)benzamide is O=C(Nc1ccccc1)c1ccc(Nc2ccnc3ccccc23)cc1.
What is the InChIKey of N-phenyl-4-(quinolin-4-ylamino)benzamide?
The InChIKey is NVXAJRJLDYQUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c26-22(25-17-6-2-1-3-7-17)16-10-12-18(13-11-16)24-21-14-15-23-20-9-5-4-8-19(20)21/h1-15H,(H,23,24)(H,25,26).
What are the key properties of N-phenyl-4-(quinolin-4-ylamino)benzamide?
N-phenyl-4-(quinolin-4-ylamino)benzamide has a molecular weight of 339.40 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(quinolin-4-ylamino)benzamide is sourced from PubChem (CID 58472461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).