2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate

C16H20N2O3 — CID 30338221

IUPAC2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate
SMILESCC(C)CCC(=O)OCCn1cnc2ccccc2c1=O
InChIInChI=1S/C16H20N2O3/c1-12(2)7-8-15(19)21-10-9-18-11-17-14-6-4-3-5-13(14)16(18)20/h3-6,11-12H,7-10H2,1-2H3
InChIKeyRDSUFNBPRBGZRR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.38
Rot. Bonds6

About 2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate

2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate (PubChem CID 30338221) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate
PubChem CID30338221
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate
SMILESCC(C)CCC(=O)OCCn1cnc2ccccc2c1=O
InChIInChI=1S/C16H20N2O3/c1-12(2)7-8-15(19)21-10-9-18-11-17-14-6-4-3-5-13(14)16(18)20/h3-6,11-12H,7-10H2,1-2H3
InChIKeyRDSUFNBPRBGZRR-UHFFFAOYSA-N
XLogP2.38
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 134058897
2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate
CID 46661027
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
CID 46949976
2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate
CID 30337827
3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
CID 39805269
3-propylquinazolin-4-one
CID 529124
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55424286
methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate
CID 2216531
oxalic acid;3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]quinazolin-4-one
CID 2924209

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate (CID 30338221) is 2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate is CC(C)CCC(=O)OCCn1cnc2ccccc2c1=O.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate?
The InChIKey is RDSUFNBPRBGZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(2)7-8-15(19)21-10-9-18-11-17-14-6-4-3-5-13(14)16(18)20/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate?
2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate has a molecular weight of 288.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate is sourced from PubChem (CID 30338221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).