4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one

C16H18ClN3O4 — CID 171385412

IUPAC4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1n[nH]c(C)c1Cl)CC(=O)N2
InChIInChI=1S/C16H18ClN3O4/c1-7-13(17)14(20-19-7)8-5-11(21)18-9-6-10(22-2)15(23-3)16(24-4)12(8)9/h6,8H,5H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyFZRVQUZBJHPRND-UHFFFAOYSA-N
MW351.79 g/mol
LogP2.87
Rot. Bonds4

About 4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one

4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 171385412) has the molecular formula C16H18ClN3O4 and a molecular weight of 351.79 g/mol. Its IUPAC name is 4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID171385412
Molecular FormulaC16H18ClN3O4
Molecular Weight351.79 g/mol
Exact Mass351.10
IUPAC Name4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1n[nH]c(C)c1Cl)CC(=O)N2
InChIInChI=1S/C16H18ClN3O4/c1-7-13(17)14(20-19-7)8-5-11(21)18-9-6-10(22-2)15(23-3)16(24-4)12(8)9/h6,8H,5H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyFZRVQUZBJHPRND-UHFFFAOYSA-N
XLogP2.87
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17285543
5,6,7-trimethoxy-4-(6-methoxy-2-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 170508079
5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 169412042
4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 130383098
methyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate
CID 171387807
4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 169414133
5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 17122353
(4S)-4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-3-methyl-1-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136679082
(4R)-4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-3-methyl-1-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136679081
4-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3158483
3-amino-4-(2-chloro-3,4-dimethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135421243
(4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 1094722

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 171385412) is 4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(c(OC)c1OC)C(c1n[nH]c(C)c1Cl)CC(=O)N2.
What is the InChIKey of 4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FZRVQUZBJHPRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4/c1-7-13(17)14(20-19-7)8-5-11(21)18-9-6-10(22-2)15(23-3)16(24-4)12(8)9/h6,8H,5H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 351.79 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 171385412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).