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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Related Compounds

7-cyclopentyl-4-(3-methyl-4-phenylphenyl)quinazoline
CID 159098076
7-(3,3-dimethylcyclopentyl)-2,3-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium
CID 169055388
6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline
CID 167258283
6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline
CID 167258297
1-(5-cyclohexyl-2,3-dimethylphenyl)-6-cyclopentyl-2,3-dimethylisoquinolin-2-ium
CID 158878234
7-cyclopentyl-4-(4-fluoro-3,5-dimethylphenyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline
CID 161389821
2-cyclopentyl-9-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]carbazole
CID 171459340
6-cyclohexyl-2-(3,5-dimethylphenyl)quinoline
CID 138464247
7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 167210298
5-cyclohexyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 123592244
8-cyclohexyl-1-(3,5-dimethylphenyl)-4-methylbenzo[h]isoquinoline
CID 156512323
3-cyclopentyl-9,11-dimethyl-8H-isoindolo[1,2-a]isoquinolin-7-ium
CID 170222557

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).