1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one

C23H35N3O — CID 155561628

IUPAC1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H35N3O/c27-23-13-12-20-8-4-5-11-22(20)26(23)15-7-6-14-24-16-18-25(19-17-24)21-9-2-1-3-10-21/h4-5,8,11,21H,1-3,6-7,9-10,12-19H2
InChIKeyHZVGBWBVVRIGJW-UHFFFAOYSA-N
MW369.55 g/mol
LogP3.70
Rot. Bonds6

About 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one

1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one (PubChem CID 155561628) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one
PubChem CID155561628
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H35N3O/c27-23-13-12-20-8-4-5-11-22(20)26(23)15-7-6-14-24-16-18-25(19-17-24)21-9-2-1-3-10-21/h4-5,8,11,21H,1-3,6-7,9-10,12-19H2
InChIKeyHZVGBWBVVRIGJW-UHFFFAOYSA-N
XLogP3.70
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 25107518
CID 25107518
CID 49862986
CID 49862986
CID 14925759
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CID 18456396
CID 18456396
CID 137637884
CID 137637884
CID 156782580
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CID 710849
CID 710849

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one (CID 155561628) is 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1CCCCN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one?
The InChIKey is HZVGBWBVVRIGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c27-23-13-12-20-8-4-5-11-22(20)26(23)15-7-6-14-24-16-18-25(19-17-24)21-9-2-1-3-10-21/h4-5,8,11,21H,1-3,6-7,9-10,12-19H2.
What are the key properties of 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one?
1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one has a molecular weight of 369.55 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 155561628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).