N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide

C24H20ClN3OS — CID 22083465

IUPACN-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide
SMILESCc1cc(N)c2cc(NC(=O)c3ccccc3CSc3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C24H20ClN3OS/c1-15-12-22(26)21-13-18(8-11-23(21)27-15)28-24(29)20-5-3-2-4-16(20)14-30-19-9-6-17(25)7-10-19/h2-13H,14H2,1H3,(H2,26,27)(H,28,29)
InChIKeyXZCQIIHTDWYONH-UHFFFAOYSA-N
MW433.96 g/mol
LogP6.32
Rot. Bonds5

About N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide

N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide (PubChem CID 22083465) has the molecular formula C24H20ClN3OS and a molecular weight of 433.96 g/mol. Its IUPAC name is N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide
PubChem CID22083465
Molecular FormulaC24H20ClN3OS
Molecular Weight433.96 g/mol
Exact Mass433.10
IUPAC NameN-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide
SMILESCc1cc(N)c2cc(NC(=O)c3ccccc3CSc3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C24H20ClN3OS/c1-15-12-22(26)21-13-18(8-11-23(21)27-15)28-24(29)20-5-3-2-4-16(20)14-30-19-9-6-17(25)7-10-19/h2-13H,14H2,1H3,(H2,26,27)(H,28,29)
InChIKeyXZCQIIHTDWYONH-UHFFFAOYSA-N
XLogP6.32
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.96
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride
CID 160523492
N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide
CID 10546941
N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride
CID 162308221
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-methoxyphenoxy)methyl]benzamide
CID 22083450
4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]benzoic acid;hydrochloride
CID 69240476
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride
CID 22397054
N-(4-amino-2-ethylquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide
CID 10765154
N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride
CID 22397066
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide
CID 22083452
[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-[[4-(trifluoromethyl)phenoxy]methyl]benzamide;hydrochloride
CID 22397059
N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide
CID 22083457

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide?
The IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide (CID 22083465) is N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide is Cc1cc(N)c2cc(NC(=O)c3ccccc3CSc3ccc(Cl)cc3)ccc2n1.
What is the InChIKey of N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide?
The InChIKey is XZCQIIHTDWYONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3OS/c1-15-12-22(26)21-13-18(8-11-23(21)27-15)28-24(29)20-5-3-2-4-16(20)14-30-19-9-6-17(25)7-10-19/h2-13H,14H2,1H3,(H2,26,27)(H,28,29).
What are the key properties of N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide?
N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide has a molecular weight of 433.96 g/mol, XLogP of 6.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 22083465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).