3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one

C19H19ClN2O2 — CID 25319089

IUPAC3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCOc1ccc(Cl)cc1NCc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C19H19ClN2O2/c1-11-6-13-8-14(19(23)22-16(13)7-12(11)2)10-21-17-9-15(20)4-5-18(17)24-3/h4-9,21H,10H2,1-3H3,(H,22,23)
InChIKeyHIGCLNXNLWRODZ-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.42
Rot. Bonds4

About 3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one

3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one (PubChem CID 25319089) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one
PubChem CID25319089
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCOc1ccc(Cl)cc1NCc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C19H19ClN2O2/c1-11-6-13-8-14(19(23)22-16(13)7-12(11)2)10-21-17-9-15(20)4-5-18(17)24-3/h4-9,21H,10H2,1-3H3,(H,22,23)
InChIKeyHIGCLNXNLWRODZ-UHFFFAOYSA-N
XLogP4.42
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one with MolForge

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Related Compounds

6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637181
3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one
CID 75527524
3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one
CID 23009284
6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
CID 118955702
7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one
CID 167956310
3-[(3,4-dimethoxyanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 95855590
4-[(5-chloro-2-methoxyanilino)methyl]-7,8-dimethylchromen-2-one
CID 9346165
methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate
CID 110662689
N-(5-chloro-2-methoxyphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110356008
3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 864735
3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 25318984
3-ethyl-6,7-dimethyl-1H-quinolin-2-one
CID 21061119

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one (CID 25319089) is 3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one is COc1ccc(Cl)cc1NCc1cc2cc(C)c(C)cc2[nH]c1=O.
What is the InChIKey of 3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one?
The InChIKey is HIGCLNXNLWRODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-11-6-13-8-14(19(23)22-16(13)7-12(11)2)10-21-17-9-15(20)4-5-18(17)24-3/h4-9,21H,10H2,1-3H3,(H,22,23).
What are the key properties of 3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one?
3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one has a molecular weight of 342.83 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 25319089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).