6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one

C16H20N2O3 — CID 131924703

IUPAC6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one
SMILESCOc1ccc2ncn(CCC3CCCOC3)c(=O)c2c1
InChIInChI=1S/C16H20N2O3/c1-20-13-4-5-15-14(9-13)16(19)18(11-17-15)7-6-12-3-2-8-21-10-12/h4-5,9,11-12H,2-3,6-8,10H2,1H3
InChIKeyMFKCLYAASCQKEH-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.22
Rot. Bonds4

About 6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one

6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one (PubChem CID 131924703) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one
PubChem CID131924703
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one
SMILESCOc1ccc2ncn(CCC3CCCOC3)c(=O)c2c1
InChIInChI=1S/C16H20N2O3/c1-20-13-4-5-15-14(9-13)16(19)18(11-17-15)7-6-12-3-2-8-21-10-12/h4-5,9,11-12H,2-3,6-8,10H2,1H3
InChIKeyMFKCLYAASCQKEH-UHFFFAOYSA-N
XLogP2.22
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264158
3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one
CID 39796688
3-[(2S)-2-hydroxy-2-phenylethyl]-6-methoxyquinazolin-4-one
CID 166385913
6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one
CID 39826371
3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one
CID 117264303
6-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one
CID 166385917
6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
CID 39760818
3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 30292156
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-(3-methoxyphenyl)urea
CID 162429378
3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one
CID 24740952
3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 42893868

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one?
The IUPAC name of 6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one (CID 131924703) is 6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one is COc1ccc2ncn(CCC3CCCOC3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one?
The InChIKey is MFKCLYAASCQKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-20-13-4-5-15-14(9-13)16(19)18(11-17-15)7-6-12-3-2-8-21-10-12/h4-5,9,11-12H,2-3,6-8,10H2,1H3.
What are the key properties of 6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one?
6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one has a molecular weight of 288.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 131924703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).