8-cyclopentyl-2-(4-piperazin-1-ylanilino)-6,8-dihydro-5H-quinazolin-7-one

C23H29N5O — CID 10135072

IUPAC8-cyclopentyl-2-(4-piperazin-1-ylanilino)-6,8-dihydro-5H-quinazolin-7-one
SMILESO=C1CCc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2C1C1CCCC1
InChIInChI=1S/C23H29N5O/c29-20-10-5-17-15-25-23(27-22(17)21(20)16-3-1-2-4-16)26-18-6-8-19(9-7-18)28-13-11-24-12-14-28/h6-9,15-16,21,24H,1-5,10-14H2,(H,25,26,27)
InChIKeyXZMGUJIUDBLTCU-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.42
Rot. Bonds4

About 8-cyclopentyl-2-(4-piperazin-1-ylanilino)-6,8-dihydro-5H-quinazolin-7-one

8-cyclopentyl-2-(4-piperazin-1-ylanilino)-6,8-dihydro-5H-quinazolin-7-one (PubChem CID 10135072) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 8-cyclopentyl-2-(4-piperazin-1-ylanilino)-6,8-dihydro-5H-quinazolin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-(4-piperazin-1-ylanilino)-6,8-dihydro-5H-quinazolin-7-one
PubChem CID10135072
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name8-cyclopentyl-2-(4-piperazin-1-ylanilino)-6,8-dihydro-5H-quinazolin-7-one
SMILESO=C1CCc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2C1C1CCCC1
InChIInChI=1S/C23H29N5O/c29-20-10-5-17-15-25-23(27-22(17)21(20)16-3-1-2-4-16)26-18-6-8-19(9-7-18)28-13-11-24-12-14-28/h6-9,15-16,21,24H,1-5,10-14H2,(H,25,26,27)
InChIKeyXZMGUJIUDBLTCU-UHFFFAOYSA-N
XLogP3.42
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

8-methyl-2-(4-piperazin-1-ylanilino)-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one
CID 142733067
7-cyclopentyl-5,5-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidin-6-one
CID 58015854
8-cyclopentyl-6-fluoro-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 134135542
1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 59686636
3-cyclopropyl-7-(4-piperazin-1-ylanilino)-2H-pyrimido[5,4-e][1,3]oxazin-4-one
CID 138531055
8-(2-adamantyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 151718666
2-(4-piperazin-1-ylanilino)pyrimidine-4-carboxamide
CID 69247814
N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 82513989
7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 59290955
1-[4-[4-[(8-cyclopentyl-7-hydroxy-5,6-dihydroquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 135550669
7-(4-piperazin-1-ylanilino)-3-propan-2-yl-2H-pyrimido[5,4-e][1,3]oxazin-4-one
CID 138530946
N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324513

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-(4-piperazin-1-ylanilino)-6,8-dihydro-5H-quinazolin-7-one?
The IUPAC name of 8-cyclopentyl-2-(4-piperazin-1-ylanilino)-6,8-dihydro-5H-quinazolin-7-one (CID 10135072) is 8-cyclopentyl-2-(4-piperazin-1-ylanilino)-6,8-dihydro-5H-quinazolin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-(4-piperazin-1-ylanilino)-6,8-dihydro-5H-quinazolin-7-one?
The canonical SMILES for 8-cyclopentyl-2-(4-piperazin-1-ylanilino)-6,8-dihydro-5H-quinazolin-7-one is O=C1CCc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2C1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-2-(4-piperazin-1-ylanilino)-6,8-dihydro-5H-quinazolin-7-one?
The InChIKey is XZMGUJIUDBLTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c29-20-10-5-17-15-25-23(27-22(17)21(20)16-3-1-2-4-16)26-18-6-8-19(9-7-18)28-13-11-24-12-14-28/h6-9,15-16,21,24H,1-5,10-14H2,(H,25,26,27).
What are the key properties of 8-cyclopentyl-2-(4-piperazin-1-ylanilino)-6,8-dihydro-5H-quinazolin-7-one?
8-cyclopentyl-2-(4-piperazin-1-ylanilino)-6,8-dihydro-5H-quinazolin-7-one has a molecular weight of 391.52 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-(4-piperazin-1-ylanilino)-6,8-dihydro-5H-quinazolin-7-one is sourced from PubChem (CID 10135072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).