2-[5-methyl-6-(2-phenoxyphenyl)-2-pyridinyl]quinazoline

C26H19N3O — CID 67688848

IUPAC2-[5-methyl-6-(2-phenoxyphenyl)-2-pyridinyl]quinazoline
SMILESCc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1Oc1ccccc1
InChIInChI=1S/C26H19N3O/c1-18-15-16-23(26-27-17-19-9-5-7-13-22(19)29-26)28-25(18)21-12-6-8-14-24(21)30-20-10-3-2-4-11-20/h2-17H,1H3
InChIKeyQJWDAXXXKHFCBB-UHFFFAOYSA-N
MW389.46 g/mol
LogP6.46
Rot. Bonds4

About 2-[5-methyl-6-(2-phenoxyphenyl)-2-pyridinyl]quinazoline

2-[5-methyl-6-(2-phenoxyphenyl)-2-pyridinyl]quinazoline (PubChem CID 67688848) has the molecular formula C26H19N3O and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[5-methyl-6-(2-phenoxyphenyl)-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[5-methyl-6-(2-phenoxyphenyl)-2-pyridinyl]quinazoline
PubChem CID67688848
Molecular FormulaC26H19N3O
Molecular Weight389.46 g/mol
Exact Mass389.15
IUPAC Name2-[5-methyl-6-(2-phenoxyphenyl)-2-pyridinyl]quinazoline
SMILESCc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1Oc1ccccc1
InChIInChI=1S/C26H19N3O/c1-18-15-16-23(26-27-17-19-9-5-7-13-22(19)29-26)28-25(18)21-12-6-8-14-24(21)30-20-10-3-2-4-11-20/h2-17H,1H3
InChIKeyQJWDAXXXKHFCBB-UHFFFAOYSA-N
XLogP6.46
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-(2-phenoxyphenyl)-2-pyridinyl]quinazoline?
The IUPAC name of 2-[5-methyl-6-(2-phenoxyphenyl)-2-pyridinyl]quinazoline (CID 67688848) is 2-[5-methyl-6-(2-phenoxyphenyl)-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[5-methyl-6-(2-phenoxyphenyl)-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[5-methyl-6-(2-phenoxyphenyl)-2-pyridinyl]quinazoline is Cc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-[5-methyl-6-(2-phenoxyphenyl)-2-pyridinyl]quinazoline?
The InChIKey is QJWDAXXXKHFCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O/c1-18-15-16-23(26-27-17-19-9-5-7-13-22(19)29-26)28-25(18)21-12-6-8-14-24(21)30-20-10-3-2-4-11-20/h2-17H,1H3.
What are the key properties of 2-[5-methyl-6-(2-phenoxyphenyl)-2-pyridinyl]quinazoline?
2-[5-methyl-6-(2-phenoxyphenyl)-2-pyridinyl]quinazoline has a molecular weight of 389.46 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-(2-phenoxyphenyl)-2-pyridinyl]quinazoline is sourced from PubChem (CID 67688848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).