3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one

C18H18N2O3 — CID 75527524

IUPAC3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc2cc(CNc3ccccc3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C18H18N2O3/c1-22-16-9-12-8-13(11-19-14-6-4-3-5-7-14)18(21)20-15(12)10-17(16)23-2/h3-10,19H,11H2,1-2H3,(H,20,21)
InChIKeyXVATYBKUIDQZJX-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.16
Rot. Bonds5

About 3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one

3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one (PubChem CID 75527524) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one
PubChem CID75527524
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc2cc(CNc3ccccc3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C18H18N2O3/c1-22-16-9-12-8-13(11-19-14-6-4-3-5-7-14)18(21)20-15(12)10-17(16)23-2/h3-10,19H,11H2,1-2H3,(H,20,21)
InChIKeyXVATYBKUIDQZJX-UHFFFAOYSA-N
XLogP3.16
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 95855654
3-[(3,4-dimethoxyanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 95855590
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324982
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324984
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-phenylthiourea
CID 1149700
3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
CID 110325039
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(dimethylamino)ethyl]-3-phenylthiourea
CID 1150024
1-[(2-chlorophenyl)methyl]-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1437385
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(dimethylamino)propyl]-3-phenylthiourea
CID 3177257
3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 856495
6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 943158
1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylthiourea
CID 23770181

Frequently Asked Questions

What is the IUPAC name of 3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one?
The IUPAC name of 3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one (CID 75527524) is 3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one is COc1cc2cc(CNc3ccccc3)c(=O)[nH]c2cc1OC.
What is the InChIKey of 3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one?
The InChIKey is XVATYBKUIDQZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-16-9-12-8-13(11-19-14-6-4-3-5-7-14)18(21)20-15(12)10-17(16)23-2/h3-10,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one?
3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one has a molecular weight of 310.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one is sourced from PubChem (CID 75527524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).