4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one

C19H17ClN2O2 — CID 150905726

IUPAC4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one
SMILESCOc1cc(C2CC2)cc2c1c(Cl)nc(=O)n2-c1ccccc1C
InChIInChI=1S/C19H17ClN2O2/c1-11-5-3-4-6-14(11)22-15-9-13(12-7-8-12)10-16(24-2)17(15)18(20)21-19(22)23/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyLAXUTRKNZPIEMB-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.23
Rot. Bonds3

About 4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one

4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one (PubChem CID 150905726) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one
PubChem CID150905726
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one
SMILESCOc1cc(C2CC2)cc2c1c(Cl)nc(=O)n2-c1ccccc1C
InChIInChI=1S/C19H17ClN2O2/c1-11-5-3-4-6-14(11)22-15-9-13(12-7-8-12)10-16(24-2)17(15)18(20)21-19(22)23/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyLAXUTRKNZPIEMB-UHFFFAOYSA-N
XLogP4.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one?
The IUPAC name of 4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one (CID 150905726) is 4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one.
What is the SMILES notation for 4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one?
The canonical SMILES for 4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one is COc1cc(C2CC2)cc2c1c(Cl)nc(=O)n2-c1ccccc1C.
What is the InChIKey of 4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one?
The InChIKey is LAXUTRKNZPIEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-11-5-3-4-6-14(11)22-15-9-13(12-7-8-12)10-16(24-2)17(15)18(20)21-19(22)23/h3-6,9-10,12H,7-8H2,1-2H3.
What are the key properties of 4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one?
4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one has a molecular weight of 340.81 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one is sourced from PubChem (CID 150905726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).