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

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Related Compounds

6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 112776292
2,6-dichloro-3-ethylquinazolin-4-one
CID 114692904
N-butyl-2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7691661
6-chloro-2-[(4-methylphenyl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
CID 7355891
6-bromo-3-(oxiran-2-ylmethyl)-2-propoxyquinazolin-4-one
CID 15510330
2-[(1S)-1-(butylamino)ethyl]-6-chloro-3-ethylquinazolin-4-one
CID 7301688
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopentylacetamide
CID 7691725
6-chloro-2-ethoxy-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 21183885
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 16509998
6-chloro-3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 7355928
3-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylpropane-1-sulfonamide
CID 52880185
6-iodo-3-methyl-2-propoxyquinazolin-4-one;6-iodo-2-prop-2-enoxy-3-propylquinazolin-4-one;6-iodo-3-prop-2-enyl-2-propoxyquinazolin-4-one
CID 158512430

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).