1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone

C17H13ClN2O — CID 43832784

IUPAC1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1Nc1ccnc2c(Cl)cccc12
InChIInChI=1S/C17H13ClN2O/c1-11(21)12-5-2-3-8-15(12)20-16-9-10-19-17-13(16)6-4-7-14(17)18/h2-10H,1H3,(H,19,20)
InChIKeyCKQBFGKHCQNFJS-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.83
Rot. Bonds3

About 1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone

1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone (PubChem CID 43832784) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone
PubChem CID43832784
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1Nc1ccnc2c(Cl)cccc12
InChIInChI=1S/C17H13ClN2O/c1-11(21)12-5-2-3-8-15(12)20-16-9-10-19-17-13(16)6-4-7-14(17)18/h2-10H,1H3,(H,19,20)
InChIKeyCKQBFGKHCQNFJS-UHFFFAOYSA-N
XLogP4.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone
CID 43833315
N-(2-bromophenyl)-8-chloroquinolin-4-amine
CID 43832738
8-chloro-N-(2-methoxyphenyl)quinolin-4-amine
CID 43833261
2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid;hydrochloride
CID 70546974
2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid;dihydrate;hydrochloride
CID 70546379
sodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 173418480
8-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 43833259
1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone
CID 39850737
N-(2-acetylphenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716322
1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone
CID 53264744
8-chloro-N-ethylquinolin-4-amine
CID 62190462
(8-chloroquinolin-4-yl)hydrazine;hydrochloride
CID 43865977

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone (CID 43832784) is 1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone is CC(=O)c1ccccc1Nc1ccnc2c(Cl)cccc12.
What is the InChIKey of 1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone?
The InChIKey is CKQBFGKHCQNFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-11(21)12-5-2-3-8-15(12)20-16-9-10-19-17-13(16)6-4-7-14(17)18/h2-10H,1H3,(H,19,20).
What are the key properties of 1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone?
1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone has a molecular weight of 296.76 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 43832784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).