6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one

C19H15ClN2O3 — CID 122637181

IUPAC6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one
SMILESCOc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)cc2occc12
InChIInChI=1S/C19H15ClN2O3/c1-24-17-8-14(9-18-15(17)4-5-25-18)21-10-12-6-11-7-13(20)2-3-16(11)22-19(12)23/h2-9,21H,10H2,1H3,(H,22,23)
InChIKeyDWCXZGJGJLJGDO-UHFFFAOYSA-N
MW354.79 g/mol
LogP4.55
Rot. Bonds4

About 6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one

6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one (PubChem CID 122637181) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is 6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one
PubChem CID122637181
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one
SMILESCOc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)cc2occc12
InChIInChI=1S/C19H15ClN2O3/c1-24-17-8-14(9-18-15(17)4-5-25-18)21-10-12-6-11-7-13(20)2-3-16(11)22-19(12)23/h2-9,21H,10H2,1H3,(H,22,23)
InChIKeyDWCXZGJGJLJGDO-UHFFFAOYSA-N
XLogP4.55
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 25319089
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]-3H-1,3-benzoxazol-2-one
CID 122637274
3-[(3,4-dimethoxyanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 95855590
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-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one
CID 122637226
6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637430
3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one
CID 75527524
6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637068
6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
CID 118955702
N-[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-5-methoxypyrimidin-4-yl]-N-(2-methylpropyl)formamide
CID 145174638

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one (CID 122637181) is 6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one is COc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)cc2occc12.
What is the InChIKey of 6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is DWCXZGJGJLJGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-24-17-8-14(9-18-15(17)4-5-25-18)21-10-12-6-11-7-13(20)2-3-16(11)22-19(12)23/h2-9,21H,10H2,1H3,(H,22,23).
What are the key properties of 6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one?
6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 354.79 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 122637181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).