4,7-dichloro-2-(4-phenylphenyl)quinazoline

C20H12Cl2N2 — CID 87604357

IUPAC4,7-dichloro-2-(4-phenylphenyl)quinazoline
SMILESClc1ccc2c(Cl)nc(-c3ccc(-c4ccccc4)cc3)nc2c1
InChIInChI=1S/C20H12Cl2N2/c21-16-10-11-17-18(12-16)23-20(24-19(17)22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H
InChIKeyKZKVHNAOVFSFHW-UHFFFAOYSA-N
MW351.24 g/mol
LogP6.27
Rot. Bonds2

About 4,7-dichloro-2-(4-phenylphenyl)quinazoline

4,7-dichloro-2-(4-phenylphenyl)quinazoline (PubChem CID 87604357) has the molecular formula C20H12Cl2N2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 4,7-dichloro-2-(4-phenylphenyl)quinazoline.

Molecular Properties

Compound Name4,7-dichloro-2-(4-phenylphenyl)quinazoline
PubChem CID87604357
Molecular FormulaC20H12Cl2N2
Molecular Weight351.24 g/mol
Exact Mass350.04
IUPAC Name4,7-dichloro-2-(4-phenylphenyl)quinazoline
SMILESClc1ccc2c(Cl)nc(-c3ccc(-c4ccccc4)cc3)nc2c1
InChIInChI=1S/C20H12Cl2N2/c21-16-10-11-17-18(12-16)23-20(24-19(17)22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H
InChIKeyKZKVHNAOVFSFHW-UHFFFAOYSA-N
XLogP6.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.24
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(4-chlorophenyl)-7-fluoroquinazoline
CID 53407921
4,7-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline
CID 63496786
4-chloro-2-(4-chlorophenyl)quinazoline-7-carbonyl chloride
CID 122423896
4-chloro-7-fluoro-6-methyl-2-phenylquinazoline
CID 114591614
4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline
CID 63496784
4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline
CID 114590146
2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425266
2-(6-chloronaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 129263325
2-(4-chlorophenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425295
7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine
CID 118477734
4-chloro-2-phenyl-6-propan-2-ylquinazoline
CID 114590616
7-chloro-2-(4-fluorophenyl)quinazolin-4-amine
CID 61026323

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2-(4-phenylphenyl)quinazoline?
The IUPAC name of 4,7-dichloro-2-(4-phenylphenyl)quinazoline (CID 87604357) is 4,7-dichloro-2-(4-phenylphenyl)quinazoline.
What is the SMILES notation for 4,7-dichloro-2-(4-phenylphenyl)quinazoline?
The canonical SMILES for 4,7-dichloro-2-(4-phenylphenyl)quinazoline is Clc1ccc2c(Cl)nc(-c3ccc(-c4ccccc4)cc3)nc2c1.
What is the InChIKey of 4,7-dichloro-2-(4-phenylphenyl)quinazoline?
The InChIKey is KZKVHNAOVFSFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2/c21-16-10-11-17-18(12-16)23-20(24-19(17)22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H.
What are the key properties of 4,7-dichloro-2-(4-phenylphenyl)quinazoline?
4,7-dichloro-2-(4-phenylphenyl)quinazoline has a molecular weight of 351.24 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2-(4-phenylphenyl)quinazoline is sourced from PubChem (CID 87604357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).