4-chloro-2-(2-chlorophenyl)-6-propylquinazoline

C17H14Cl2N2 — CID 114590720

IUPAC4-chloro-2-(2-chlorophenyl)-6-propylquinazoline
SMILESCCCc1ccc2nc(-c3ccccc3Cl)nc(Cl)c2c1
InChIInChI=1S/C17H14Cl2N2/c1-2-5-11-8-9-15-13(10-11)16(19)21-17(20-15)12-6-3-4-7-14(12)18/h3-4,6-10H,2,5H2,1H3
InChIKeyZBBFSOXFHNDLMZ-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.56
Rot. Bonds3

About 4-chloro-2-(2-chlorophenyl)-6-propylquinazoline

4-chloro-2-(2-chlorophenyl)-6-propylquinazoline (PubChem CID 114590720) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 4-chloro-2-(2-chlorophenyl)-6-propylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2-chlorophenyl)-6-propylquinazoline
PubChem CID114590720
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name4-chloro-2-(2-chlorophenyl)-6-propylquinazoline
SMILESCCCc1ccc2nc(-c3ccccc3Cl)nc(Cl)c2c1
InChIInChI=1S/C17H14Cl2N2/c1-2-5-11-8-9-15-13(10-11)16(19)21-17(20-15)12-6-3-4-7-14(12)18/h3-4,6-10H,2,5H2,1H3
InChIKeyZBBFSOXFHNDLMZ-UHFFFAOYSA-N
XLogP5.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(4-chlorophenyl)-6-propylquinazoline
CID 114590719
4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline
CID 114590671
4-chloro-2-(2-chlorophenyl)-7-fluoro-6-methylquinazoline
CID 114591625
4-chloro-2,6-dipropylquinoline
CID 43668449
4-chloro-2-(2-chlorophenyl)-5-iodo-6-propylpyrimidine
CID 66294183
2-(2-chlorophenyl)-4-undecylquinazolin-6-ol
CID 86256332
4-chloro-3-methyl-2-phenyl-6-propylquinoline
CID 104845968
2-(2-chlorophenyl)-4-ethoxyquinazoline
CID 914488
9-chloro-7-propyl-1,2,3,4-tetrahydroacridine
CID 55188071
4-chloro-2-(2-chloro-4-methylphenyl)quinazoline
CID 106860906
4,6-dichloro-2-(2-methoxyphenyl)quinazoline
CID 63084991
4-chloro-2-cyclopropyl-6-propylquinoline
CID 63408646

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chlorophenyl)-6-propylquinazoline?
The IUPAC name of 4-chloro-2-(2-chlorophenyl)-6-propylquinazoline (CID 114590720) is 4-chloro-2-(2-chlorophenyl)-6-propylquinazoline.
What is the SMILES notation for 4-chloro-2-(2-chlorophenyl)-6-propylquinazoline?
The canonical SMILES for 4-chloro-2-(2-chlorophenyl)-6-propylquinazoline is CCCc1ccc2nc(-c3ccccc3Cl)nc(Cl)c2c1.
What is the InChIKey of 4-chloro-2-(2-chlorophenyl)-6-propylquinazoline?
The InChIKey is ZBBFSOXFHNDLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c1-2-5-11-8-9-15-13(10-11)16(19)21-17(20-15)12-6-3-4-7-14(12)18/h3-4,6-10H,2,5H2,1H3.
What are the key properties of 4-chloro-2-(2-chlorophenyl)-6-propylquinazoline?
4-chloro-2-(2-chlorophenyl)-6-propylquinazoline has a molecular weight of 317.22 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chlorophenyl)-6-propylquinazoline is sourced from PubChem (CID 114590720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).