4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid

C19H18ClNO6 — CID 171338688

IUPAC4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid
SMILESCOc1ccc2c(c1C)NC(=O)CC2c1cc2c(cc1Cl)OCO2.O=CO
InChIInChI=1S/C18H16ClNO4.CH2O2/c1-9-14(22-2)4-3-10-11(6-17(21)20-18(9)10)12-5-15-16(7-13(12)19)24-8-23-15;2-1-3/h3-5,7,11H,6,8H2,1-2H3,(H,20,21);1H,(H,2,3)
InChIKeyZLCIPJUMMZOXES-UHFFFAOYSA-N
MW391.81 g/mol
LogP3.56
Rot. Bonds2

About 4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid

4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid (PubChem CID 171338688) has the molecular formula C19H18ClNO6 and a molecular weight of 391.81 g/mol. Its IUPAC name is 4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid.

Molecular Properties

Compound Name4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid
PubChem CID171338688
Molecular FormulaC19H18ClNO6
Molecular Weight391.81 g/mol
Exact Mass391.08
IUPAC Name4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid
SMILESCOc1ccc2c(c1C)NC(=O)CC2c1cc2c(cc1Cl)OCO2.O=CO
InChIInChI=1S/C18H16ClNO4.CH2O2/c1-9-14(22-2)4-3-10-11(6-17(21)20-18(9)10)12-5-15-16(7-13(12)19)24-8-23-15;2-1-3/h3-5,7,11H,6,8H2,1-2H3,(H,20,21);1H,(H,2,3)
InChIKeyZLCIPJUMMZOXES-UHFFFAOYSA-N
XLogP3.56
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid with MolForge

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Related Compounds

8-(3-chloro-4-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 17285471
benzyl 4-(6-chloro-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 2879876
(8S)-8-(2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 705581
8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2973010
4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 15989737
4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 6462296
(4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737756
4-(2-methoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 2971969
(9R)-9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1256572
9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2978934
(8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 7393672
N-[4-(2-chloro-4-methoxyphenyl)-8-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methoxyacetamide
CID 171388531

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid?
The IUPAC name of 4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid (CID 171338688) is 4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid.
What is the SMILES notation for 4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid?
The canonical SMILES for 4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid is COc1ccc2c(c1C)NC(=O)CC2c1cc2c(cc1Cl)OCO2.O=CO.
What is the InChIKey of 4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid?
The InChIKey is ZLCIPJUMMZOXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4.CH2O2/c1-9-14(22-2)4-3-10-11(6-17(21)20-18(9)10)12-5-15-16(7-13(12)19)24-8-23-15;2-1-3/h3-5,7,11H,6,8H2,1-2H3,(H,20,21);1H,(H,2,3).
What are the key properties of 4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid?
4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid has a molecular weight of 391.81 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1,3-benzodioxol-5-yl)-7-methoxy-8-methyl-3,4-dihydro-1H-quinolin-2-one;formic acid is sourced from PubChem (CID 171338688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).