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

C17H14Cl2N2 — CID 114590719

IUPAC4-chloro-2-(4-chlorophenyl)-6-propylquinazoline
SMILESCCCc1ccc2nc(-c3ccc(Cl)cc3)nc(Cl)c2c1
InChIInChI=1S/C17H14Cl2N2/c1-2-3-11-4-9-15-14(10-11)16(19)21-17(20-15)12-5-7-13(18)8-6-12/h4-10H,2-3H2,1H3
InChIKeyJGUJBOFHCXACHB-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.56
Rot. Bonds3

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

4-chloro-2-(4-chlorophenyl)-6-propylquinazoline (PubChem CID 114590719) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-6-propylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-6-propylquinazoline
PubChem CID114590719
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name4-chloro-2-(4-chlorophenyl)-6-propylquinazoline
SMILESCCCc1ccc2nc(-c3ccc(Cl)cc3)nc(Cl)c2c1
InChIInChI=1S/C17H14Cl2N2/c1-2-3-11-4-9-15-14(10-11)16(19)21-17(20-15)12-5-7-13(18)8-6-12/h4-10H,2-3H2,1H3
InChIKeyJGUJBOFHCXACHB-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-(2-chlorophenyl)-6-propylquinazoline
CID 114590720
4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline
CID 114590653
4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline
CID 63496784
4-chloro-2,6-dipropylquinoline
CID 43668449
9-chloro-7-propyl-1,2,3,4-tetrahydroacridine
CID 55188071
2-(4-chlorophenyl)-N-ethyl-6-methylquinazolin-4-amine
CID 64981585
4-chloro-3-methyl-2-phenyl-6-propylquinoline
CID 104845968
4,6-dichloro-2-(3,5-difluorophenyl)quinazoline
CID 63085337
4,7-dichloro-2-(4-phenylphenyl)quinazoline
CID 87604357
4-chloro-2-(4-chlorophenyl)-7-fluoroquinazoline
CID 53407921
4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline
CID 63497668
4,6-dichloro-2-phenyl-5-propylpyrimidine
CID 46705663

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-6-propylquinazoline?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-6-propylquinazoline (CID 114590719) is 4-chloro-2-(4-chlorophenyl)-6-propylquinazoline.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-6-propylquinazoline?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-6-propylquinazoline is CCCc1ccc2nc(-c3ccc(Cl)cc3)nc(Cl)c2c1.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-6-propylquinazoline?
The InChIKey is JGUJBOFHCXACHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c1-2-3-11-4-9-15-14(10-11)16(19)21-17(20-15)12-5-7-13(18)8-6-12/h4-10H,2-3H2,1H3.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-6-propylquinazoline?
4-chloro-2-(4-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-(4-chlorophenyl)-6-propylquinazoline is sourced from PubChem (CID 114590719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).