6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one

C16H12ClFN2O — CID 118955702

IUPAC6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1CNc1ccccc1F
InChIInChI=1S/C16H12ClFN2O/c17-12-5-6-14-10(8-12)7-11(16(21)20-14)9-19-15-4-2-1-3-13(15)18/h1-8,19H,9H2,(H,20,21)
InChIKeyMIILUWVKYRBFAP-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.93
Rot. Bonds3

About 6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one

6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one (PubChem CID 118955702) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
PubChem CID118955702
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1CNc1ccccc1F
InChIInChI=1S/C16H12ClFN2O/c17-12-5-6-14-10(8-12)7-11(16(21)20-14)9-19-15-4-2-1-3-13(15)18/h1-8,19H,9H2,(H,20,21)
InChIKeyMIILUWVKYRBFAP-UHFFFAOYSA-N
XLogP3.93
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile
CID 118955458
6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one
CID 122637449
6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one
CID 118955448
3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 25318984
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057
6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637084
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637068
6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one
CID 122637226
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 122637274
6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637430
6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one
CID 122637271

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one (CID 118955702) is 6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2cc1CNc1ccccc1F.
What is the InChIKey of 6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one?
The InChIKey is MIILUWVKYRBFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-12-5-6-14-10(8-12)7-11(16(21)20-14)9-19-15-4-2-1-3-13(15)18/h1-8,19H,9H2,(H,20,21).
What are the key properties of 6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one?
6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one has a molecular weight of 302.74 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 118955702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).