N-[3-[4-[3-(5-chloro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperazin-1-yl]phenyl]acetamide

C24H29ClN4O2 — CID 10503289

IUPACN-[3-[4-[3-(5-chloro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1
InChIInChI=1S/C24H29ClN4O2/c1-18(30)26-19-5-2-6-20(17-19)28-15-13-27(14-16-28)11-4-12-29-23-8-3-7-22(25)21(23)9-10-24(29)31/h2-3,5-8,17H,4,9-16H2,1H3,(H,26,30)
InChIKeyBXUZSSMBXUJMTP-UHFFFAOYSA-N
MW440.98 g/mol
LogP3.79
Rot. Bonds6

About N-[3-[4-[3-(5-chloro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperazin-1-yl]phenyl]acetamide

N-[3-[4-[3-(5-chloro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperazin-1-yl]phenyl]acetamide (PubChem CID 10503289) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is N-[3-[4-[3-(5-chloro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[3-(5-chloro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperazin-1-yl]phenyl]acetamide
PubChem CID10503289
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC NameN-[3-[4-[3-(5-chloro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1
InChIInChI=1S/C24H29ClN4O2/c1-18(30)26-19-5-2-6-20(17-19)28-15-13-27(14-16-28)11-4-12-29-23-8-3-7-22(25)21(23)9-10-24(29)31/h2-3,5-8,17H,4,9-16H2,1H3,(H,26,30)
InChIKeyBXUZSSMBXUJMTP-UHFFFAOYSA-N
XLogP3.79
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-(5-chloro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[3-(5-chloro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperazin-1-yl]phenyl]acetamide (CID 10503289) is N-[3-[4-[3-(5-chloro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[3-(5-chloro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[3-(5-chloro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1.
What is the InChIKey of N-[3-[4-[3-(5-chloro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperazin-1-yl]phenyl]acetamide?
The InChIKey is BXUZSSMBXUJMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-18(30)26-19-5-2-6-20(17-19)28-15-13-27(14-16-28)11-4-12-29-23-8-3-7-22(25)21(23)9-10-24(29)31/h2-3,5-8,17H,4,9-16H2,1H3,(H,26,30).
What are the key properties of N-[3-[4-[3-(5-chloro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperazin-1-yl]phenyl]acetamide?
N-[3-[4-[3-(5-chloro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperazin-1-yl]phenyl]acetamide has a molecular weight of 440.98 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-(5-chloro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 10503289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).