1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5-chloro-3,4-dihydroquinolin-2-one

C22H27ClN4O — CID 11795203

IUPAC1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5-chloro-3,4-dihydroquinolin-2-one
SMILESNc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1
InChIInChI=1S/C22H27ClN4O/c23-20-6-2-7-21-19(20)8-9-22(28)27(21)11-3-10-25-12-14-26(15-13-25)18-5-1-4-17(24)16-18/h1-2,4-7,16H,3,8-15,24H2
InChIKeyNSYVUZNCNUARQF-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.41
Rot. Bonds5

About 1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5-chloro-3,4-dihydroquinolin-2-one

1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5-chloro-3,4-dihydroquinolin-2-one (PubChem CID 11795203) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is 1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5-chloro-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5-chloro-3,4-dihydroquinolin-2-one
PubChem CID11795203
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC Name1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5-chloro-3,4-dihydroquinolin-2-one
SMILESNc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1
InChIInChI=1S/C22H27ClN4O/c23-20-6-2-7-21-19(20)8-9-22(28)27(21)11-3-10-25-12-14-26(15-13-25)18-5-1-4-17(24)16-18/h1-2,4-7,16H,3,8-15,24H2
InChIKeyNSYVUZNCNUARQF-UHFFFAOYSA-N
XLogP3.41
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5-chloro-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5-chloro-3,4-dihydroquinolin-2-one (CID 11795203) is 1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5-chloro-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5-chloro-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5-chloro-3,4-dihydroquinolin-2-one is Nc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1.
What is the InChIKey of 1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5-chloro-3,4-dihydroquinolin-2-one?
The InChIKey is NSYVUZNCNUARQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O/c23-20-6-2-7-21-19(20)8-9-22(28)27(21)11-3-10-25-12-14-26(15-13-25)18-5-1-4-17(24)16-18/h1-2,4-7,16H,3,8-15,24H2.
What are the key properties of 1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5-chloro-3,4-dihydroquinolin-2-one?
1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5-chloro-3,4-dihydroquinolin-2-one has a molecular weight of 398.94 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-5-chloro-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 11795203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).