4-chloro-2-phenyl-6-propan-2-ylquinazoline

C17H15ClN2 — CID 114590616

IUPAC4-chloro-2-phenyl-6-propan-2-ylquinazoline
SMILESCC(C)c1ccc2nc(-c3ccccc3)nc(Cl)c2c1
InChIInChI=1S/C17H15ClN2/c1-11(2)13-8-9-15-14(10-13)16(18)20-17(19-15)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyIRWPHVNNAQOVDL-UHFFFAOYSA-N
MW282.77 g/mol
LogP5.07
Rot. Bonds2

About 4-chloro-2-phenyl-6-propan-2-ylquinazoline

4-chloro-2-phenyl-6-propan-2-ylquinazoline (PubChem CID 114590616) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-2-phenyl-6-propan-2-ylquinazoline.

Molecular Properties

Compound Name4-chloro-2-phenyl-6-propan-2-ylquinazoline
PubChem CID114590616
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name4-chloro-2-phenyl-6-propan-2-ylquinazoline
SMILESCC(C)c1ccc2nc(-c3ccccc3)nc(Cl)c2c1
InChIInChI=1S/C17H15ClN2/c1-11(2)13-8-9-15-14(10-13)16(18)20-17(19-15)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyIRWPHVNNAQOVDL-UHFFFAOYSA-N
XLogP5.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.77
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-phenyl-6-propan-2-ylquinazoline with MolForge

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

Launch Full Analysis

Related Compounds

4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline
CID 63496784
4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline
CID 63497668
4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline
CID 114590631
4-chloro-7-fluoro-6-methyl-2-phenylquinazoline
CID 114591614
4,7-dichloro-2-(4-phenylphenyl)quinazoline
CID 87604357
3,4-dichloro-6-propan-2-ylquinoline
CID 114759774
N-methyl-2-phenyl-6-propan-2-ylquinolin-4-amine
CID 63481504
2-phenyl-6-propan-2-yl-3H-quinazolin-4-one
CID 176911970
6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 64983259
4-chloro-6-fluoro-2-(3-methylphenyl)quinazoline
CID 63084323
4-chloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 55197160
2,4-bis[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 176842994

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-6-propan-2-ylquinazoline?
The IUPAC name of 4-chloro-2-phenyl-6-propan-2-ylquinazoline (CID 114590616) is 4-chloro-2-phenyl-6-propan-2-ylquinazoline.
What is the SMILES notation for 4-chloro-2-phenyl-6-propan-2-ylquinazoline?
The canonical SMILES for 4-chloro-2-phenyl-6-propan-2-ylquinazoline is CC(C)c1ccc2nc(-c3ccccc3)nc(Cl)c2c1.
What is the InChIKey of 4-chloro-2-phenyl-6-propan-2-ylquinazoline?
The InChIKey is IRWPHVNNAQOVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-11(2)13-8-9-15-14(10-13)16(18)20-17(19-15)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 4-chloro-2-phenyl-6-propan-2-ylquinazoline?
4-chloro-2-phenyl-6-propan-2-ylquinazoline has a molecular weight of 282.77 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-6-propan-2-ylquinazoline is sourced from PubChem (CID 114590616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).