N-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide

C24H24ClN3O4 — CID 17251065

IUPACN-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)cc1Cl
InChIInChI=1S/C24H24ClN3O4/c1-32-21-10-9-16(13-19(21)25)26-22(29)15-28-20-8-4-3-7-17(20)18(14-23(28)30)24(31)27-11-5-2-6-12-27/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,26,29)
InChIKeyBVVOAIKEEONIEQ-UHFFFAOYSA-N
MW453.93 g/mol
LogP3.93
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide (PubChem CID 17251065) has the molecular formula C24H24ClN3O4 and a molecular weight of 453.93 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
PubChem CID17251065
Molecular FormulaC24H24ClN3O4
Molecular Weight453.93 g/mol
Exact Mass453.15
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)cc1Cl
InChIInChI=1S/C24H24ClN3O4/c1-32-21-10-9-16(13-19(21)25)26-22(29)15-28-20-8-4-3-7-17(20)18(14-23(28)30)24(31)27-11-5-2-6-12-27/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,26,29)
InChIKeyBVVOAIKEEONIEQ-UHFFFAOYSA-N
XLogP3.93
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 50814188
N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767925
N-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 17251089
N-(3-fluorophenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 50814310
2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 17466964
N-(2,5-dimethoxyphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 51369730
2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 17251163
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 51369732
N-(3-chloro-4-methoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47779782
N-(3-chloro-4-methoxyphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 60536287
N-(3-chloro-4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942046
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide (CID 17251065) is N-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide is COc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide?
The InChIKey is BVVOAIKEEONIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4/c1-32-21-10-9-16(13-19(21)25)26-22(29)15-28-20-8-4-3-7-17(20)18(14-23(28)30)24(31)27-11-5-2-6-12-27/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,26,29).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide has a molecular weight of 453.93 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide is sourced from PubChem (CID 17251065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).