4-chloro-3-methyl-2-phenyl-4H-quinazoline

C15H13ClN2 — CID 145198761

IUPAC4-chloro-3-methyl-2-phenyl-4H-quinazoline
SMILESCN1C(c2ccccc2)=Nc2ccccc2C1Cl
InChIInChI=1S/C15H13ClN2/c1-18-14(16)12-9-5-6-10-13(12)17-15(18)11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKeyBQKSRDYRGVIEIX-UHFFFAOYSA-N
MW256.74 g/mol
LogP3.95
Rot. Bonds1

About 4-chloro-3-methyl-2-phenyl-4H-quinazoline

4-chloro-3-methyl-2-phenyl-4H-quinazoline (PubChem CID 145198761) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-chloro-3-methyl-2-phenyl-4H-quinazoline.

Molecular Properties

Compound Name4-chloro-3-methyl-2-phenyl-4H-quinazoline
PubChem CID145198761
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name4-chloro-3-methyl-2-phenyl-4H-quinazoline
SMILESCN1C(c2ccccc2)=Nc2ccccc2C1Cl
InChIInChI=1S/C15H13ClN2/c1-18-14(16)12-9-5-6-10-13(12)17-15(18)11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKeyBQKSRDYRGVIEIX-UHFFFAOYSA-N
XLogP3.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-2-phenyl-4H-quinazoline?
The IUPAC name of 4-chloro-3-methyl-2-phenyl-4H-quinazoline (CID 145198761) is 4-chloro-3-methyl-2-phenyl-4H-quinazoline.
What is the SMILES notation for 4-chloro-3-methyl-2-phenyl-4H-quinazoline?
The canonical SMILES for 4-chloro-3-methyl-2-phenyl-4H-quinazoline is CN1C(c2ccccc2)=Nc2ccccc2C1Cl.
What is the InChIKey of 4-chloro-3-methyl-2-phenyl-4H-quinazoline?
The InChIKey is BQKSRDYRGVIEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-18-14(16)12-9-5-6-10-13(12)17-15(18)11-7-3-2-4-8-11/h2-10,14H,1H3.
What are the key properties of 4-chloro-3-methyl-2-phenyl-4H-quinazoline?
4-chloro-3-methyl-2-phenyl-4H-quinazoline has a molecular weight of 256.74 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-2-phenyl-4H-quinazoline is sourced from PubChem (CID 145198761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).