6-chloro-3-(2-methylpropyl)-2-propoxyquinazolin-4-one

C15H19ClN2O2 — CID 18473306

IUPAC6-chloro-3-(2-methylpropyl)-2-propoxyquinazolin-4-one
SMILESCCCOc1nc2ccc(Cl)cc2c(=O)n1CC(C)C
InChIInChI=1S/C15H19ClN2O2/c1-4-7-20-15-17-13-6-5-11(16)8-12(13)14(19)18(15)9-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3
InChIKeyRBXVOJXGILEASS-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.49
Rot. Bonds5

About 6-chloro-3-(2-methylpropyl)-2-propoxyquinazolin-4-one

6-chloro-3-(2-methylpropyl)-2-propoxyquinazolin-4-one (PubChem CID 18473306) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 6-chloro-3-(2-methylpropyl)-2-propoxyquinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-methylpropyl)-2-propoxyquinazolin-4-one
PubChem CID18473306
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name6-chloro-3-(2-methylpropyl)-2-propoxyquinazolin-4-one
SMILESCCCOc1nc2ccc(Cl)cc2c(=O)n1CC(C)C
InChIInChI=1S/C15H19ClN2O2/c1-4-7-20-15-17-13-6-5-11(16)8-12(13)14(19)18(15)9-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3
InChIKeyRBXVOJXGILEASS-UHFFFAOYSA-N
XLogP3.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(2-methylpropyl)-2-propoxyquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-methylpropyl)-2-propoxyquinazolin-4-one?
The IUPAC name of 6-chloro-3-(2-methylpropyl)-2-propoxyquinazolin-4-one (CID 18473306) is 6-chloro-3-(2-methylpropyl)-2-propoxyquinazolin-4-one.
What is the SMILES notation for 6-chloro-3-(2-methylpropyl)-2-propoxyquinazolin-4-one?
The canonical SMILES for 6-chloro-3-(2-methylpropyl)-2-propoxyquinazolin-4-one is CCCOc1nc2ccc(Cl)cc2c(=O)n1CC(C)C.
What is the InChIKey of 6-chloro-3-(2-methylpropyl)-2-propoxyquinazolin-4-one?
The InChIKey is RBXVOJXGILEASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-4-7-20-15-17-13-6-5-11(16)8-12(13)14(19)18(15)9-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3.
What are the key properties of 6-chloro-3-(2-methylpropyl)-2-propoxyquinazolin-4-one?
6-chloro-3-(2-methylpropyl)-2-propoxyquinazolin-4-one has a molecular weight of 294.78 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-methylpropyl)-2-propoxyquinazolin-4-one is sourced from PubChem (CID 18473306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).