1-[2-(2-chloroanilino)ethyl]quinolin-4-one

C17H15ClN2O — CID 62564944

IUPAC1-[2-(2-chloroanilino)ethyl]quinolin-4-one
SMILESO=c1ccn(CCNc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C17H15ClN2O/c18-14-6-2-3-7-15(14)19-10-12-20-11-9-17(21)13-5-1-4-8-16(13)20/h1-9,11,19H,10,12H2
InChIKeyLWQGWOVLHBQIPL-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.77
Rot. Bonds4

About 1-[2-(2-chloroanilino)ethyl]quinolin-4-one

1-[2-(2-chloroanilino)ethyl]quinolin-4-one (PubChem CID 62564944) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[2-(2-chloroanilino)ethyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-(2-chloroanilino)ethyl]quinolin-4-one
PubChem CID62564944
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name1-[2-(2-chloroanilino)ethyl]quinolin-4-one
SMILESO=c1ccn(CCNc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C17H15ClN2O/c18-14-6-2-3-7-15(14)19-10-12-20-11-9-17(21)13-5-1-4-8-16(13)20/h1-9,11,19H,10,12H2
InChIKeyLWQGWOVLHBQIPL-UHFFFAOYSA-N
XLogP3.77
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-indol-1-ylethyl)aniline
CID 55195314
2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline
CID 63504515
1-[2-(3-methylanilino)ethyl]quinolin-4-one
CID 62565332
1-(2-piperidin-1-ylethyl)quinolin-4-one
CID 141163131
5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735392
N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780650
3-(4-oxoquinolin-1-yl)propanoic acid
CID 53264528
1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one
CID 62565537
3-(4-oxoquinolin-1-yl)propanamide
CID 53264488
1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one
CID 82897843
1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one
CID 116623868
N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroanilino)ethyl]quinolin-4-one?
The IUPAC name of 1-[2-(2-chloroanilino)ethyl]quinolin-4-one (CID 62564944) is 1-[2-(2-chloroanilino)ethyl]quinolin-4-one.
What is the SMILES notation for 1-[2-(2-chloroanilino)ethyl]quinolin-4-one?
The canonical SMILES for 1-[2-(2-chloroanilino)ethyl]quinolin-4-one is O=c1ccn(CCNc2ccccc2Cl)c2ccccc12.
What is the InChIKey of 1-[2-(2-chloroanilino)ethyl]quinolin-4-one?
The InChIKey is LWQGWOVLHBQIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-14-6-2-3-7-15(14)19-10-12-20-11-9-17(21)13-5-1-4-8-16(13)20/h1-9,11,19H,10,12H2.
What are the key properties of 1-[2-(2-chloroanilino)ethyl]quinolin-4-one?
1-[2-(2-chloroanilino)ethyl]quinolin-4-one has a molecular weight of 298.77 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroanilino)ethyl]quinolin-4-one is sourced from PubChem (CID 62564944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).