2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one

C25H31N3O3 — CID 11524620

IUPAC2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one
SMILESCOc1cc(OCCCN2CCC[C@H](C)C2)ccc1-c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C25H31N3O3/c1-18-8-6-13-28(17-18)14-7-15-31-19-11-12-21(23(16-19)30-3)24-26-22-10-5-4-9-20(22)25(29)27(24)2/h4-5,9-12,16,18H,6-8,13-15,17H2,1-3H3/t18-/m0/s1
InChIKeyYNFFTICMXHVICN-SFHVURJKSA-N
MW421.54 g/mol
LogP4.11
Rot. Bonds7

About 2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one

2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one (PubChem CID 11524620) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one
PubChem CID11524620
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one
SMILESCOc1cc(OCCCN2CCC[C@H](C)C2)ccc1-c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C25H31N3O3/c1-18-8-6-13-28(17-18)14-7-15-31-19-11-12-21(23(16-19)30-3)24-26-22-10-5-4-9-20(22)25(29)27(24)2/h4-5,9-12,16,18H,6-8,13-15,17H2,1-3H3/t18-/m0/s1
InChIKeyYNFFTICMXHVICN-SFHVURJKSA-N
XLogP4.11
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-[2-methyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11625039
3-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-2,6-dimethylquinazolin-4-one
CID 157234450
3-methyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 11494881
3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 11509710
3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine
CID 141127125
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine
CID 2935991
8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11545644
1-[3-(3-methoxy-4-nitrophenoxy)propyl]-3-methylpyrrolidine
CID 146453469
3-methyl-1-[3-(3-methyl-4-nitrophenoxy)propyl]piperidine
CID 2935046
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzoic acid
CID 40801831
3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
CID 11581919

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one (CID 11524620) is 2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one is COc1cc(OCCCN2CCC[C@H](C)C2)ccc1-c1nc2ccccc2c(=O)n1C.
What is the InChIKey of 2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one?
The InChIKey is YNFFTICMXHVICN-SFHVURJKSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-18-8-6-13-28(17-18)14-7-15-31-19-11-12-21(23(16-19)30-3)24-26-22-10-5-4-9-20(22)25(29)27(24)2/h4-5,9-12,16,18H,6-8,13-15,17H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one?
2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one has a molecular weight of 421.54 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 11524620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).