6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one

C18H13ClN2O3 — CID 122637068

IUPAC6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one
SMILESO=C1OCc2ccc(NCc3cc4cc(Cl)ccc4[nH]c3=O)cc21
InChIInChI=1S/C18H13ClN2O3/c19-13-2-4-16-11(6-13)5-12(17(22)21-16)8-20-14-3-1-10-9-24-18(23)15(10)7-14/h1-7,20H,8-9H2,(H,21,22)
InChIKeyZKFFIBWEUOSZKB-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.46
Rot. Bonds3

About 6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one

6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one (PubChem CID 122637068) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is 6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one
PubChem CID122637068
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC Name6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one
SMILESO=C1OCc2ccc(NCc3cc4cc(Cl)ccc4[nH]c3=O)cc21
InChIInChI=1S/C18H13ClN2O3/c19-13-2-4-16-11(6-13)5-12(17(22)21-16)8-20-14-3-1-10-9-24-18(23)15(10)7-14/h1-7,20H,8-9H2,(H,21,22)
InChIKeyZKFFIBWEUOSZKB-UHFFFAOYSA-N
XLogP3.46
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

6-chloro-3-[[(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637234
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
3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one
CID 122637212
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 122637378
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
CID 118955702
6-(prop-2-ynylamino)-3H-2-benzofuran-1-one
CID 130617302
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile
CID 118955458
6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637430
8-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 23857776
6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637181

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one (CID 122637068) is 6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one is O=C1OCc2ccc(NCc3cc4cc(Cl)ccc4[nH]c3=O)cc21.
What is the InChIKey of 6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is ZKFFIBWEUOSZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c19-13-2-4-16-11(6-13)5-12(17(22)21-16)8-20-14-3-1-10-9-24-18(23)15(10)7-14/h1-7,20H,8-9H2,(H,21,22).
What are the key properties of 6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one?
6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 340.77 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 122637068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).