4-butyl-2-(6-methyl-2-pyridinyl)quinazoline

C18H19N3 — CID 67689396

IUPAC4-butyl-2-(6-methyl-2-pyridinyl)quinazoline
SMILESCCCCc1nc(-c2cccc(C)n2)nc2ccccc12
InChIInChI=1S/C18H19N3/c1-3-4-10-15-14-9-5-6-11-16(14)21-18(20-15)17-12-7-8-13(2)19-17/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyUWMVRFLMJOUQMV-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.34
Rot. Bonds4

About 4-butyl-2-(6-methyl-2-pyridinyl)quinazoline

4-butyl-2-(6-methyl-2-pyridinyl)quinazoline (PubChem CID 67689396) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-butyl-2-(6-methyl-2-pyridinyl)quinazoline.

Molecular Properties

Compound Name4-butyl-2-(6-methyl-2-pyridinyl)quinazoline
PubChem CID67689396
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-butyl-2-(6-methyl-2-pyridinyl)quinazoline
SMILESCCCCc1nc(-c2cccc(C)n2)nc2ccccc12
InChIInChI=1S/C18H19N3/c1-3-4-10-15-14-9-5-6-11-16(14)21-18(20-15)17-12-7-8-13(2)19-17/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyUWMVRFLMJOUQMV-UHFFFAOYSA-N
XLogP4.34
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(6-methyl-2-pyridinyl)quinazoline?
The IUPAC name of 4-butyl-2-(6-methyl-2-pyridinyl)quinazoline (CID 67689396) is 4-butyl-2-(6-methyl-2-pyridinyl)quinazoline.
What is the SMILES notation for 4-butyl-2-(6-methyl-2-pyridinyl)quinazoline?
The canonical SMILES for 4-butyl-2-(6-methyl-2-pyridinyl)quinazoline is CCCCc1nc(-c2cccc(C)n2)nc2ccccc12.
What is the InChIKey of 4-butyl-2-(6-methyl-2-pyridinyl)quinazoline?
The InChIKey is UWMVRFLMJOUQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-3-4-10-15-14-9-5-6-11-16(14)21-18(20-15)17-12-7-8-13(2)19-17/h5-9,11-12H,3-4,10H2,1-2H3.
What are the key properties of 4-butyl-2-(6-methyl-2-pyridinyl)quinazoline?
4-butyl-2-(6-methyl-2-pyridinyl)quinazoline has a molecular weight of 277.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(6-methyl-2-pyridinyl)quinazoline is sourced from PubChem (CID 67689396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).