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

C24H23N3O — CID 67688554

IUPAC2-[6-(2-butoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
SMILESCCCCOc1ccccc1-c1nc(-c2ncc3ccccc3n2)ccc1C
InChIInChI=1S/C24H23N3O/c1-3-4-15-28-22-12-8-6-10-19(22)23-17(2)13-14-21(26-23)24-25-16-18-9-5-7-11-20(18)27-24/h5-14,16H,3-4,15H2,1-2H3
InChIKeyKOSMFCFXNDVHLT-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.85
Rot. Bonds6

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

2-[6-(2-butoxyphenyl)-5-methyl-2-pyridinyl]quinazoline (PubChem CID 67688554) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[6-(2-butoxyphenyl)-5-methyl-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-(2-butoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
PubChem CID67688554
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name2-[6-(2-butoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
SMILESCCCCOc1ccccc1-c1nc(-c2ncc3ccccc3n2)ccc1C
InChIInChI=1S/C24H23N3O/c1-3-4-15-28-22-12-8-6-10-19(22)23-17(2)13-14-21(26-23)24-25-16-18-9-5-7-11-20(18)27-24/h5-14,16H,3-4,15H2,1-2H3
InChIKeyKOSMFCFXNDVHLT-UHFFFAOYSA-N
XLogP5.85
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-butoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-(2-butoxyphenyl)-5-methyl-2-pyridinyl]quinazoline (CID 67688554) is 2-[6-(2-butoxyphenyl)-5-methyl-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-(2-butoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-(2-butoxyphenyl)-5-methyl-2-pyridinyl]quinazoline is CCCCOc1ccccc1-c1nc(-c2ncc3ccccc3n2)ccc1C.
What is the InChIKey of 2-[6-(2-butoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The InChIKey is KOSMFCFXNDVHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-3-4-15-28-22-12-8-6-10-19(22)23-17(2)13-14-21(26-23)24-25-16-18-9-5-7-11-20(18)27-24/h5-14,16H,3-4,15H2,1-2H3.
What are the key properties of 2-[6-(2-butoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
2-[6-(2-butoxyphenyl)-5-methyl-2-pyridinyl]quinazoline has a molecular weight of 369.47 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-butoxyphenyl)-5-methyl-2-pyridinyl]quinazoline is sourced from PubChem (CID 67688554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).