3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one

C23H25N3O3 — CID 126787810

IUPAC3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one
SMILESCOCC1CCN(C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1
InChIInChI=1S/C23H25N3O3/c1-16-24-21-6-4-3-5-20(21)23(28)26(16)19-9-7-18(8-10-19)22(27)25-13-11-17(12-14-25)15-29-2/h3-10,17H,11-15H2,1-2H3
InChIKeyHLXYJMUQEUGIMY-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.19
Rot. Bonds4

About 3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one

3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one (PubChem CID 126787810) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one
PubChem CID126787810
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one
SMILESCOCC1CCN(C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1
InChIInChI=1S/C23H25N3O3/c1-16-24-21-6-4-3-5-20(21)23(28)26(16)19-9-7-18(8-10-19)22(27)25-13-11-17(12-14-25)15-29-2/h3-10,17H,11-15H2,1-2H3
InChIKeyHLXYJMUQEUGIMY-UHFFFAOYSA-N
XLogP3.19
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
CID 126769930
2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one
CID 17471641
3-[4-[(3S)-3-ethylpiperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one
CID 38906313
3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
CID 126783335
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one
CID 32646472
3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane
CID 162117435
2-[4-[4-[3-(methoxymethyl)pyrrolidin-1-yl]benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138554206
N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46415784
methyl 4-[4-(methoxymethyl)piperidine-1-carbonyl]benzoate
CID 121091427
tert-butyl 4-[4-(2-methyl-4-oxoquinazolin-3-yl)phenoxy]piperidine-1-carboxylate
CID 23151302
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylquinazolin-4-one
CID 127257164

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one (CID 126787810) is 3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one is COCC1CCN(C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1.
What is the InChIKey of 3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one?
The InChIKey is HLXYJMUQEUGIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-24-21-6-4-3-5-20(21)23(28)26(16)19-9-7-18(8-10-19)22(27)25-13-11-17(12-14-25)15-29-2/h3-10,17H,11-15H2,1-2H3.
What are the key properties of 3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one?
3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one has a molecular weight of 391.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 126787810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).