6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline

C20H14ClN3 — CID 174843090

IUPAC6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline
SMILESCc1ccc(Cl)cc1-c1ncccc1-c1ccc2ncncc2c1
InChIInChI=1S/C20H14ClN3/c1-13-4-6-16(21)10-18(13)20-17(3-2-8-23-20)14-5-7-19-15(9-14)11-22-12-24-19/h2-12H,1H3
InChIKeyREMHSKOLUARTPQ-UHFFFAOYSA-N
MW331.81 g/mol
LogP5.32
Rot. Bonds2

About 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline

6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline (PubChem CID 174843090) has the molecular formula C20H14ClN3 and a molecular weight of 331.81 g/mol. Its IUPAC name is 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline.

Molecular Properties

Compound Name6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline
PubChem CID174843090
Molecular FormulaC20H14ClN3
Molecular Weight331.81 g/mol
Exact Mass331.09
IUPAC Name6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline
SMILESCc1ccc(Cl)cc1-c1ncccc1-c1ccc2ncncc2c1
InChIInChI=1S/C20H14ClN3/c1-13-4-6-16(21)10-18(13)20-17(3-2-8-23-20)14-5-7-19-15(9-14)11-22-12-24-19/h2-12H,1H3
InChIKeyREMHSKOLUARTPQ-UHFFFAOYSA-N
XLogP5.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.81
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine
CID 90094571
7-[2-(2-methylphenyl)-3-pyridinyl]quinazoline
CID 151094082
trimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane
CID 174843590
4-methyl-3-quinazolin-6-ylbenzoic acid
CID 58829177
6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazoline
CID 122534079
4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine
CID 174954030
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine
CID 123542608
4-methyl-3-quinolin-6-ylaniline
CID 81224667
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinoline-4-carboxamide
CID 90094639
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine
CID 118437807
2-quinazolin-6-ylquinoxaline
CID 135299830
2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 82883627

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline?
The IUPAC name of 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline (CID 174843090) is 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline.
What is the SMILES notation for 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline?
The canonical SMILES for 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline is Cc1ccc(Cl)cc1-c1ncccc1-c1ccc2ncncc2c1.
What is the InChIKey of 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline?
The InChIKey is REMHSKOLUARTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3/c1-13-4-6-16(21)10-18(13)20-17(3-2-8-23-20)14-5-7-19-15(9-14)11-22-12-24-19/h2-12H,1H3.
What are the key properties of 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline?
6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline has a molecular weight of 331.81 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline is sourced from PubChem (CID 174843090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).