6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one

C24H22ClN3O3 — CID 169157845

IUPAC6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one
SMILESCOc1ccc(C2CC(c3c(C)c4cc(Cl)ccc4[nH]c3=O)=NN2C(=O)C2CC2)cc1
InChIInChI=1S/C24H22ClN3O3/c1-13-18-11-16(25)7-10-19(18)26-23(29)22(13)20-12-21(14-5-8-17(31-2)9-6-14)28(27-20)24(30)15-3-4-15/h5-11,15,21H,3-4,12H2,1-2H3,(H,26,29)
InChIKeyCZSHEGHQRHGGDL-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.59
Rot. Bonds4

About 6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one

6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one (PubChem CID 169157845) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one
PubChem CID169157845
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one
SMILESCOc1ccc(C2CC(c3c(C)c4cc(Cl)ccc4[nH]c3=O)=NN2C(=O)C2CC2)cc1
InChIInChI=1S/C24H22ClN3O3/c1-13-18-11-16(25)7-10-19(18)26-23(29)22(13)20-12-21(14-5-8-17(31-2)9-6-14)28(27-20)24(30)15-3-4-15/h5-11,15,21H,3-4,12H2,1-2H3,(H,26,29)
InChIKeyCZSHEGHQRHGGDL-UHFFFAOYSA-N
XLogP4.59
TPSA74.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3131545
6-chloro-3-[(3R)-3-(4-methoxyphenyl)-2-(2-piperidin-1-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 136691265
6-chloro-3-[(3S)-3-(4-methoxyphenyl)-2-(2-piperidin-1-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 136691264
5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 4173010
7-chloro-4-methyl-3-[3-(4-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-1H-quinolin-2-one
CID 169158003
6-chloro-3-[(3S)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 1389856
6-chloro-3-[(3R)-3-(3,4-dimethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 135903034
4-[3-(4-chlorophenyl)-5-[4-(3-fluorophenyl)-6-methoxy-2-oxo-1H-quinolin-3-yl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 136927376
3-[(3S)-2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-(4-methylphenyl)-1H-quinolin-2-one
CID 136915128
6-chloro-3-[(3R)-3-(4-fluorophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 135903048
3-[(3R)-2-acetyl-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one
CID 1048932
3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one
CID 169158006

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one (CID 169157845) is 6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one is COc1ccc(C2CC(c3c(C)c4cc(Cl)ccc4[nH]c3=O)=NN2C(=O)C2CC2)cc1.
What is the InChIKey of 6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one?
The InChIKey is CZSHEGHQRHGGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-13-18-11-16(25)7-10-19(18)26-23(29)22(13)20-12-21(14-5-8-17(31-2)9-6-14)28(27-20)24(30)15-3-4-15/h5-11,15,21H,3-4,12H2,1-2H3,(H,26,29).
What are the key properties of 6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one?
6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one has a molecular weight of 435.91 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 169157845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).