4-(3-chloro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline

C21H16ClN3 — CID 67701201

IUPAC4-(3-chloro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
SMILESCc1cccc(-c2nc(-c3ccc(C)c(Cl)c3)c3ccccc3n2)n1
InChIInChI=1S/C21H16ClN3/c1-13-10-11-15(12-17(13)22)20-16-7-3-4-8-18(16)24-21(25-20)19-9-5-6-14(2)23-19/h3-12H,1-2H3
InChIKeyILABXUKWAPBWCL-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.63
Rot. Bonds2

About 4-(3-chloro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline

4-(3-chloro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline (PubChem CID 67701201) has the molecular formula C21H16ClN3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
PubChem CID67701201
Molecular FormulaC21H16ClN3
Molecular Weight345.83 g/mol
Exact Mass345.10
IUPAC Name4-(3-chloro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
SMILESCc1cccc(-c2nc(-c3ccc(C)c(Cl)c3)c3ccccc3n2)n1
InChIInChI=1S/C21H16ClN3/c1-13-10-11-15(12-17(13)22)20-16-7-3-4-8-18(16)24-21(25-20)19-9-5-6-14(2)23-19/h3-12H,1-2H3
InChIKeyILABXUKWAPBWCL-UHFFFAOYSA-N
XLogP5.63
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline (CID 67701201) is 4-(3-chloro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline is Cc1cccc(-c2nc(-c3ccc(C)c(Cl)c3)c3ccccc3n2)n1.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline?
The InChIKey is ILABXUKWAPBWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3/c1-13-10-11-15(12-17(13)22)20-16-7-3-4-8-18(16)24-21(25-20)19-9-5-6-14(2)23-19/h3-12H,1-2H3.
What are the key properties of 4-(3-chloro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline?
4-(3-chloro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline has a molecular weight of 345.83 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline is sourced from PubChem (CID 67701201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).