7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one

C12H15ClN2O2 — CID 45113305

IUPAC7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one
SMILESCC1(CCCO)NC(=O)c2ccc(Cl)cc2N1
InChIInChI=1S/C12H15ClN2O2/c1-12(5-2-6-16)14-10-7-8(13)3-4-9(10)11(17)15-12/h3-4,7,14,16H,2,5-6H2,1H3,(H,15,17)
InChIKeyQMVJWXPWWORFSS-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.98
Rot. Bonds3

About 7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one

7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one (PubChem CID 45113305) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one
PubChem CID45113305
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one
SMILESCC1(CCCO)NC(=O)c2ccc(Cl)cc2N1
InChIInChI=1S/C12H15ClN2O2/c1-12(5-2-6-16)14-10-7-8(13)3-4-9(10)11(17)15-12/h3-4,7,14,16H,2,5-6H2,1H3,(H,15,17)
InChIKeyQMVJWXPWWORFSS-UHFFFAOYSA-N
XLogP1.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one?
The IUPAC name of 7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one (CID 45113305) is 7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one.
What is the SMILES notation for 7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one?
The canonical SMILES for 7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one is CC1(CCCO)NC(=O)c2ccc(Cl)cc2N1.
What is the InChIKey of 7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one?
The InChIKey is QMVJWXPWWORFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-12(5-2-6-16)14-10-7-8(13)3-4-9(10)11(17)15-12/h3-4,7,14,16H,2,5-6H2,1H3,(H,15,17).
What are the key properties of 7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one?
7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one has a molecular weight of 254.72 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-hydroxypropyl)-2-methyl-1,3-dihydroquinazolin-4-one is sourced from PubChem (CID 45113305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).