3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione

C12H14N2O4 — CID 117262435

IUPAC3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione
SMILESCOc1ccc2c(c1)c(=O)n(CCO)c(=O)n2C
InChIInChI=1S/C12H14N2O4/c1-13-10-4-3-8(18-2)7-9(10)11(16)14(5-6-15)12(13)17/h3-4,7,15H,5-6H2,1-2H3
InChIKeyHBTDYBOYHMKXCQ-UHFFFAOYSA-N
MW250.25 g/mol
LogP-0.30
Rot. Bonds3

About 3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione

3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione (PubChem CID 117262435) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione
PubChem CID117262435
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione
SMILESCOc1ccc2c(c1)c(=O)n(CCO)c(=O)n2C
InChIInChI=1S/C12H14N2O4/c1-13-10-4-3-8(18-2)7-9(10)11(16)14(5-6-15)12(13)17/h3-4,7,15H,5-6H2,1-2H3
InChIKeyHBTDYBOYHMKXCQ-UHFFFAOYSA-N
XLogP-0.30
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117262736
3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione
CID 10082863
6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione
CID 117262520
6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione
CID 117262554
2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117263069
4-chloro-6-methoxy-1,3-dimethylquinolin-2-one
CID 171338243
1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one
CID 59398402
3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 53368485
3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione
CID 91254141
2-[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxoquinazolin-3-yl]acetic acid
CID 70149214
N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-phenylpropyl)quinazoline-6-carboxamide
CID 10115305
3-benzyl-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10181036

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione?
The IUPAC name of 3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione (CID 117262435) is 3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione is COc1ccc2c(c1)c(=O)n(CCO)c(=O)n2C.
What is the InChIKey of 3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione?
The InChIKey is HBTDYBOYHMKXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-13-10-4-3-8(18-2)7-9(10)11(16)14(5-6-15)12(13)17/h3-4,7,15H,5-6H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione?
3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione has a molecular weight of 250.25 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 117262435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).