7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline

C22H24N2 — CID 130343427

IUPAC7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline
SMILESCc1cc(C)c(C)c(-c2ncnc3cc(C4CCCC4)ccc23)c1
InChIInChI=1S/C22H24N2/c1-14-10-15(2)16(3)20(11-14)22-19-9-8-18(17-6-4-5-7-17)12-21(19)23-13-24-22/h8-13,17H,4-7H2,1-3H3
InChIKeyZBQIHQLYHQEAPG-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.88
Rot. Bonds2

About 7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline

7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline (PubChem CID 130343427) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline.

Molecular Properties

Compound Name7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline
PubChem CID130343427
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline
SMILESCc1cc(C)c(C)c(-c2ncnc3cc(C4CCCC4)ccc23)c1
InChIInChI=1S/C22H24N2/c1-14-10-15(2)16(3)20(11-14)22-19-9-8-18(17-6-4-5-7-17)12-21(19)23-13-24-22/h8-13,17H,4-7H2,1-3H3
InChIKeyZBQIHQLYHQEAPG-UHFFFAOYSA-N
XLogP5.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline?
The IUPAC name of 7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline (CID 130343427) is 7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline.
What is the SMILES notation for 7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline?
The canonical SMILES for 7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline is Cc1cc(C)c(C)c(-c2ncnc3cc(C4CCCC4)ccc23)c1.
What is the InChIKey of 7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline?
The InChIKey is ZBQIHQLYHQEAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-14-10-15(2)16(3)20(11-14)22-19-9-8-18(17-6-4-5-7-17)12-21(19)23-13-24-22/h8-13,17H,4-7H2,1-3H3.
What are the key properties of 7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline?
7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline has a molecular weight of 316.45 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline is sourced from PubChem (CID 130343427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).