N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C27H32N4O2 — CID 46541470

IUPACN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)c3c4c(nc5ccccc35)CCC4)CC2)cc1
InChIInChI=1S/C27H32N4O2/c1-33-21-12-10-20(11-13-21)31-18-16-30(17-19-31)15-5-14-28-27(32)26-22-6-2-3-8-24(22)29-25-9-4-7-23(25)26/h2-3,6,8,10-13H,4-5,7,9,14-19H2,1H3,(H,28,32)
InChIKeyQIJZLFJADKSVDQ-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.67
Rot. Bonds7

About N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 46541470) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID46541470
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)c3c4c(nc5ccccc35)CCC4)CC2)cc1
InChIInChI=1S/C27H32N4O2/c1-33-21-12-10-20(11-13-21)31-18-16-30(17-19-31)15-5-14-28-27(32)26-22-6-2-3-8-24(22)29-25-9-4-7-23(25)26/h2-3,6,8,10-13H,4-5,7,9,14-19H2,1H3,(H,28,32)
InChIKeyQIJZLFJADKSVDQ-UHFFFAOYSA-N
XLogP3.67
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide with MolForge

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Related Compounds

methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate
CID 51126378
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2672640
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326183
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 71896095
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,5-dimethylbenzamide
CID 42224706
N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
CID 42390380
(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16578464
(4-methoxyphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239887
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 42224724
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N'-(2-methylphenyl)oxamide
CID 42390414

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 46541470) is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is COc1ccc(N2CCN(CCCNC(=O)c3c4c(nc5ccccc35)CCC4)CC2)cc1.
What is the InChIKey of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is QIJZLFJADKSVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-33-21-12-10-20(11-13-21)31-18-16-30(17-19-31)15-5-14-28-27(32)26-22-6-2-3-8-24(22)29-25-9-4-7-23(25)26/h2-3,6,8,10-13H,4-5,7,9,14-19H2,1H3,(H,28,32).
What are the key properties of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 46541470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).