3-[4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one

C25H31N3O2 — CID 11509682

IUPAC3-[4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C25H31N3O2/c1-18-15-19(2)17-27(16-18)13-6-14-30-22-11-9-21(10-12-22)28-20(3)26-24-8-5-4-7-23(24)25(28)29/h4-5,7-12,18-19H,6,13-17H2,1-3H3
InChIKeyZTESOUAADVEJOU-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.44
Rot. Bonds6

About 3-[4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one

3-[4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one (PubChem CID 11509682) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 3-[4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
PubChem CID11509682
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name3-[4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C25H31N3O2/c1-18-15-19(2)17-27(16-18)13-6-14-30-22-11-9-21(10-12-22)28-20(3)26-24-8-5-4-7-23(24)25(28)29/h4-5,7-12,18-19H,6,13-17H2,1-3H3
InChIKeyZTESOUAADVEJOU-UHFFFAOYSA-N
XLogP4.44
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Mk-0249
CID 11697697
MK-3134
CID 11973780
Dictyoquinazol A
CID 637050
3-(2-Ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 11559627
1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)-
CID 217632
2-[2-[3-(4-Methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 1366773
Yil781
CID 23631116
2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylquinazolin-4(3H)-one
CID 11502343
2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-fluoro-3-methylquinazolin-4(3H)-one
CID 11502381
2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-6-methoxy-3-methylquinazolin-4(3H)-one
CID 11502638
3-Methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11516386
2-Ethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11516387

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one (CID 11509682) is 3-[4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CC(C)CC(C)C2)cc1.
What is the InChIKey of 3-[4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one?
The InChIKey is ZTESOUAADVEJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-18-15-19(2)17-27(16-18)13-6-14-30-22-11-9-21(10-12-22)28-20(3)26-24-8-5-4-7-23(24)25(28)29/h4-5,7-12,18-19H,6,13-17H2,1-3H3.
What are the key properties of 3-[4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one?
3-[4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one has a molecular weight of 405.54 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 11509682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).