4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline

C21H16ClN3O — CID 67702005

IUPAC4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline
SMILESCOc1ccc(-c2nc(-c3ccccc3Cl)c3ccccc3n2)nc1C
InChIInChI=1S/C21H16ClN3O/c1-13-19(26-2)12-11-18(23-13)21-24-17-10-6-4-8-15(17)20(25-21)14-7-3-5-9-16(14)22/h3-12H,1-2H3
InChIKeyVZRZALVESBYEGN-UHFFFAOYSA-N
MW361.83 g/mol
LogP5.33
Rot. Bonds3

About 4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline

4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline (PubChem CID 67702005) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline
PubChem CID67702005
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC Name4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline
SMILESCOc1ccc(-c2nc(-c3ccccc3Cl)c3ccccc3n2)nc1C
InChIInChI=1S/C21H16ClN3O/c1-13-19(26-2)12-11-18(23-13)21-24-17-10-6-4-8-15(17)20(25-21)14-7-3-5-9-16(14)22/h3-12H,1-2H3
InChIKeyVZRZALVESBYEGN-UHFFFAOYSA-N
XLogP5.33
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.83
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline?
The IUPAC name of 4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline (CID 67702005) is 4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline.
What is the SMILES notation for 4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline?
The canonical SMILES for 4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline is COc1ccc(-c2nc(-c3ccccc3Cl)c3ccccc3n2)nc1C.
What is the InChIKey of 4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline?
The InChIKey is VZRZALVESBYEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O/c1-13-19(26-2)12-11-18(23-13)21-24-17-10-6-4-8-15(17)20(25-21)14-7-3-5-9-16(14)22/h3-12H,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline?
4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline has a molecular weight of 361.83 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline is sourced from PubChem (CID 67702005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).