3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one

C21H27N3O4 — CID 95269637

IUPAC3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CCCC(=O)N1CCC[C@@H](C2OCCO2)C1
InChIInChI=1S/C21H27N3O4/c1-15-22-18-8-3-2-7-17(18)20(26)24(15)11-5-9-19(25)23-10-4-6-16(14-23)21-27-12-13-28-21/h2-3,7-8,16,21H,4-6,9-14H2,1H3/t16-/m1/s1
InChIKeyQUAWSKFFFJXPDK-MRXNPFEDSA-N
MW385.46 g/mol
LogP2.10
Rot. Bonds5

About 3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one

3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one (PubChem CID 95269637) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one
PubChem CID95269637
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CCCC(=O)N1CCC[C@@H](C2OCCO2)C1
InChIInChI=1S/C21H27N3O4/c1-15-22-18-8-3-2-7-17(18)20(26)24(15)11-5-9-19(25)23-10-4-6-16(14-23)21-27-12-13-28-21/h2-3,7-8,16,21H,4-6,9-14H2,1H3/t16-/m1/s1
InChIKeyQUAWSKFFFJXPDK-MRXNPFEDSA-N
XLogP2.10
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one with MolForge

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Related Compounds

3-[3-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one
CID 92565221
(3S)-1-[4-(2-methyl-4-oxoquinazolin-3-yl)butanoyl]pyrrolidine-3-carboxamide
CID 94512727
3-[2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 17470334
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 96543678
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 36994619
N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide
CID 54672499
3-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 55619945
3-(2-bromophenyl)sulfanyl-1-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]propan-1-one
CID 56547972
3-(3-methoxypropyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 7116539
2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one
CID 20717835
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide
CID 167956083
2-methyl-3-[3-oxo-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]quinazolin-4-one
CID 37072690

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one (CID 95269637) is 3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1CCCC(=O)N1CCC[C@@H](C2OCCO2)C1.
What is the InChIKey of 3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one?
The InChIKey is QUAWSKFFFJXPDK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-15-22-18-8-3-2-7-17(18)20(26)24(15)11-5-9-19(25)23-10-4-6-16(14-23)21-27-12-13-28-21/h2-3,7-8,16,21H,4-6,9-14H2,1H3/t16-/m1/s1.
What are the key properties of 3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one?
3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one has a molecular weight of 385.46 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 95269637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).