6-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-3,4-dihydro-1H-quinazolin-2-one

C24H28N4O — CID 118307485

IUPAC6-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2cc(N3CCN(Cc4cccc(C5=CCCC5)c4)CC3)ccc2N1
InChIInChI=1S/C24H28N4O/c29-24-25-16-21-15-22(8-9-23(21)26-24)28-12-10-27(11-13-28)17-18-4-3-7-20(14-18)19-5-1-2-6-19/h3-5,7-9,14-15H,1-2,6,10-13,16-17H2,(H2,25,26,29)
InChIKeyLJCMSUJIPDXMBI-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.21
Rot. Bonds4

About 6-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-3,4-dihydro-1H-quinazolin-2-one

6-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 118307485) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 6-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-3,4-dihydro-1H-quinazolin-2-one
PubChem CID118307485
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name6-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2cc(N3CCN(Cc4cccc(C5=CCCC5)c4)CC3)ccc2N1
InChIInChI=1S/C24H28N4O/c29-24-25-16-21-15-22(8-9-23(21)26-24)28-12-10-27(11-13-28)17-18-4-3-7-20(14-18)19-5-1-2-6-19/h3-5,7-9,14-15H,1-2,6,10-13,16-17H2,(H2,25,26,29)
InChIKeyLJCMSUJIPDXMBI-UHFFFAOYSA-N
XLogP4.21
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one
CID 168515878
but-2-enedioic acid;1-phenyl-4-[(3-phenylphenyl)methyl]piperazine
CID 70248909
2-[3-(cyclohexen-1-yl)phenyl]acetic acid
CID 115029618
6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 110640841
1-methyl-4-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 166864415
3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 135126748
1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
CID 62047060
5-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 23363883
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 18070769
1-benzyl-4-(9H-fluoren-2-yl)piperazine
CID 1201700
1-[3-oxo-6-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-isoindol-2-yl]-1,3-diazinane-2,4-dione
CID 172611416

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 6-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-3,4-dihydro-1H-quinazolin-2-one (CID 118307485) is 6-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 6-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 6-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-3,4-dihydro-1H-quinazolin-2-one is O=C1NCc2cc(N3CCN(Cc4cccc(C5=CCCC5)c4)CC3)ccc2N1.
What is the InChIKey of 6-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is LJCMSUJIPDXMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c29-24-25-16-21-15-22(8-9-23(21)26-24)28-12-10-27(11-13-28)17-18-4-3-7-20(14-18)19-5-1-2-6-19/h3-5,7-9,14-15H,1-2,6,10-13,16-17H2,(H2,25,26,29).
What are the key properties of 6-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-3,4-dihydro-1H-quinazolin-2-one?
6-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 388.52 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 118307485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).