N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide

C17H14ClN3O — CID 177312706

IUPACN-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Nc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C17H14ClN3O/c1-11(22)19-14-7-2-3-8-15(14)20-16-10-9-12-5-4-6-13(18)17(12)21-16/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyUEDXEFGVOJFWJH-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.59
Rot. Bonds3

About N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide

N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide (PubChem CID 177312706) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide
PubChem CID177312706
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Nc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C17H14ClN3O/c1-11(22)19-14-7-2-3-8-15(14)20-16-10-9-12-5-4-6-13(18)17(12)21-16/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyUEDXEFGVOJFWJH-UHFFFAOYSA-N
XLogP4.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(8-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide
CID 11694919
8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine
CID 146299492
2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol
CID 174719471
1-(8-chloroquinolin-2-yl)propan-2-one
CID 82242117
8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine
CID 146299498
2-N-(8-chloroquinolin-2-yl)-4-methylpyridine-2,3-diamine
CID 67127340
methyl 3-(8-chloroquinolin-2-yl)propanoate
CID 82244790
methyl 8-acetamidoquinoline-2-carboxylate
CID 139830366
N-(2-cyanoquinolin-8-yl)acetamide
CID 139830356
2-[[6-(2,3-dichloroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194960
[2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium
CID 118665746
N-(2-chlorophenyl)-6-methylpyridin-2-amine
CID 119089748

Frequently Asked Questions

What is the IUPAC name of N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide (CID 177312706) is N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide is CC(=O)Nc1ccccc1Nc1ccc2cccc(Cl)c2n1.
What is the InChIKey of N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide?
The InChIKey is UEDXEFGVOJFWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-11(22)19-14-7-2-3-8-15(14)20-16-10-9-12-5-4-6-13(18)17(12)21-16/h2-10H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide?
N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide has a molecular weight of 311.77 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 177312706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).