5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one

C23H27N3O3 — CID 23151336

IUPAC5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCc1nc2cccc(O)c2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C23H27N3O3/c1-17-24-20-7-5-8-21(27)22(20)23(28)26(17)18-9-11-19(12-10-18)29-16-6-15-25-13-3-2-4-14-25/h5,7-12,27H,2-4,6,13-16H2,1H3
InChIKeyKSPBYLGPDPCGGN-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.65
Rot. Bonds6

About 5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one

5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one (PubChem CID 23151336) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
PubChem CID23151336
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCc1nc2cccc(O)c2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C23H27N3O3/c1-17-24-20-7-5-8-21(27)22(20)23(28)26(17)18-9-11-19(12-10-18)29-16-6-15-25-13-3-2-4-14-25/h5,7-12,27H,2-4,6,13-16H2,1H3
InChIKeyKSPBYLGPDPCGGN-UHFFFAOYSA-N
XLogP3.65
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11667985
3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
CID 11581919
2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11509385
6-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one
CID 150607946
2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11583574
7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11596368
2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one;2-methyl-5-(trifluoromethyl)-3,1-benzoxazin-4-one;4-(3-pyrrolidin-1-ylpropoxy)aniline
CID 159263126
2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-8-(trifluoromethyl)quinazolin-4-one
CID 24951350
2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one
CID 11669670
3-[4-[3-(3-fluoropiperidin-1-yl)propoxy]phenyl]-2-methyl-5-(trifluoromethyl)quinazolin-4-one
CID 23151358
5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one
CID 23151299
N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-6-yl]methanesulfonamide
CID 11547318

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The IUPAC name of 5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one (CID 23151336) is 5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one.
What is the SMILES notation for 5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The canonical SMILES for 5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one is Cc1nc2cccc(O)c2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The InChIKey is KSPBYLGPDPCGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-24-20-7-5-8-21(27)22(20)23(28)26(17)18-9-11-19(12-10-18)29-16-6-15-25-13-3-2-4-14-25/h5,7-12,27H,2-4,6,13-16H2,1H3.
What are the key properties of 5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one has a molecular weight of 393.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one is sourced from PubChem (CID 23151336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).