6-chloro-2-ethoxy-3H-quinazolin-4-one

C10H9ClN2O2 — CID 175805927

IUPAC6-chloro-2-ethoxy-3H-quinazolin-4-one
SMILESCCOc1nc2ccc(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C10H9ClN2O2/c1-2-15-10-12-8-4-3-6(11)5-7(8)9(14)13-10/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyIKCUDUINRQRFQQ-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.98
Rot. Bonds2

About 6-chloro-2-ethoxy-3H-quinazolin-4-one

6-chloro-2-ethoxy-3H-quinazolin-4-one (PubChem CID 175805927) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 6-chloro-2-ethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethoxy-3H-quinazolin-4-one
PubChem CID175805927
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name6-chloro-2-ethoxy-3H-quinazolin-4-one
SMILESCCOc1nc2ccc(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C10H9ClN2O2/c1-2-15-10-12-8-4-3-6(11)5-7(8)9(14)13-10/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyIKCUDUINRQRFQQ-UHFFFAOYSA-N
XLogP1.98
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-3H-quinazolin-4-one
CID 135742281
6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135430600
6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one
CID 137201177
6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one
CID 136703861
6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
CID 135799571
6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one
CID 164610190
2-butoxy-3H-quinazolin-4-one
CID 136999718
2-(6-chloro-4-oxo-3H-quinazolin-2-yl)guanidine
CID 135447322
6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one
CID 136638285
2-(2-chloroethoxy)-6-nitro-3H-quinazolin-4-one
CID 158744386
6-chloro-2-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135570353
6-chloro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135932587

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethoxy-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-ethoxy-3H-quinazolin-4-one (CID 175805927) is 6-chloro-2-ethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-ethoxy-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-ethoxy-3H-quinazolin-4-one is CCOc1nc2ccc(Cl)cc2c(=O)[nH]1.
What is the InChIKey of 6-chloro-2-ethoxy-3H-quinazolin-4-one?
The InChIKey is IKCUDUINRQRFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-15-10-12-8-4-3-6(11)5-7(8)9(14)13-10/h3-5H,2H2,1H3,(H,12,13,14).
What are the key properties of 6-chloro-2-ethoxy-3H-quinazolin-4-one?
6-chloro-2-ethoxy-3H-quinazolin-4-one has a molecular weight of 224.65 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 175805927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).