3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one

C22H17ClN2O3 — CID 25069118

IUPAC3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(Cn3cccc3C(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C22H17ClN2O3/c1-28-18-9-6-15-11-16(22(27)24-19(15)12-18)13-25-10-2-3-20(25)21(26)14-4-7-17(23)8-5-14/h2-12H,13H2,1H3,(H,24,27)
InChIKeyFIOJNBUYCNYBNM-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.27
Rot. Bonds5

About 3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one

3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one (PubChem CID 25069118) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is 3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
PubChem CID25069118
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(Cn3cccc3C(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C22H17ClN2O3/c1-28-18-9-6-15-11-16(22(27)24-19(15)12-18)13-25-10-2-3-20(25)21(26)14-4-7-17(23)8-5-14/h2-12H,13H2,1H3,(H,24,27)
InChIKeyFIOJNBUYCNYBNM-UHFFFAOYSA-N
XLogP4.27
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324770
N-(4-chlorophenyl)-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110298893
2-(4-chlorophenoxy)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324775
3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one
CID 56702753
(4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone
CID 20740497
4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97209780
2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136774
(3S,4R)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70727175
3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430768
3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
CID 110324804
7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one
CID 12002170
7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363214

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one (CID 25069118) is 3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one is COc1ccc2cc(Cn3cccc3C(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one?
The InChIKey is FIOJNBUYCNYBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-28-18-9-6-15-11-16(22(27)24-19(15)12-18)13-25-10-2-3-20(25)21(26)14-4-7-17(23)8-5-14/h2-12H,13H2,1H3,(H,24,27).
What are the key properties of 3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one?
3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 392.84 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 25069118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).