N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide

C24H21N3O — CID 10546941

IUPACN-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide
SMILESCc1cc(N)c2cc(NC(=O)c3ccccc3Cc3ccccc3)ccc2n1
InChIInChI=1S/C24H21N3O/c1-16-13-22(25)21-15-19(11-12-23(21)26-16)27-24(28)20-10-6-5-9-18(20)14-17-7-3-2-4-8-17/h2-13,15H,14H2,1H3,(H2,25,26)(H,27,28)
InChIKeyOARLHLABDSCPNB-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.97
Rot. Bonds4

About N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide

N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide (PubChem CID 10546941) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide
PubChem CID10546941
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide
SMILESCc1cc(N)c2cc(NC(=O)c3ccccc3Cc3ccccc3)ccc2n1
InChIInChI=1S/C24H21N3O/c1-16-13-22(25)21-15-19(11-12-23(21)26-16)27-24(28)20-10-6-5-9-18(20)14-17-7-3-2-4-8-17/h2-13,15H,14H2,1H3,(H2,25,26)(H,27,28)
InChIKeyOARLHLABDSCPNB-UHFFFAOYSA-N
XLogP4.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride
CID 162308221
N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride
CID 160523492
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-methoxyphenoxy)methyl]benzamide
CID 22083450
N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 22083465
4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]benzoic acid;hydrochloride
CID 69240476
[4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]phenyl]methyl acetate;hydrochloride
CID 22397041
N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride
CID 22397066
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-(trifluoromethyl)phenoxy]methyl]benzamide;hydrochloride
CID 22397059
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide
CID 22083452
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride
CID 22397054
N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide
CID 22083457
1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride
CID 67107964

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide?
The IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide (CID 10546941) is N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide.
What is the SMILES notation for N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide?
The canonical SMILES for N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide is Cc1cc(N)c2cc(NC(=O)c3ccccc3Cc3ccccc3)ccc2n1.
What is the InChIKey of N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide?
The InChIKey is OARLHLABDSCPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-16-13-22(25)21-15-19(11-12-23(21)26-16)27-24(28)20-10-6-5-9-18(20)14-17-7-3-2-4-8-17/h2-13,15H,14H2,1H3,(H2,25,26)(H,27,28).
What are the key properties of N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide?
N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide is sourced from PubChem (CID 10546941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).