4-cyclohexyl-2-phenoxyquinazoline

C20H20N2O — CID 44519771

IUPAC4-cyclohexyl-2-phenoxyquinazoline
SMILESc1ccc(Oc2nc(C3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C20H20N2O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(22-19)23-16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2
InChIKeyUUPWTKUATKRORN-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.47
Rot. Bonds3

About 4-cyclohexyl-2-phenoxyquinazoline

4-cyclohexyl-2-phenoxyquinazoline (PubChem CID 44519771) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-cyclohexyl-2-phenoxyquinazoline.

Molecular Properties

Compound Name4-cyclohexyl-2-phenoxyquinazoline
PubChem CID44519771
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name4-cyclohexyl-2-phenoxyquinazoline
SMILESc1ccc(Oc2nc(C3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C20H20N2O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(22-19)23-16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2
InChIKeyUUPWTKUATKRORN-UHFFFAOYSA-N
XLogP5.47
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexylquinazolin-2-amine
CID 66520631
4-cyclohexyl-6-methoxy-2-phenylquinazoline
CID 23640939
6-cyclohexylphenanthridine-8-carbonitrile
CID 102531920
2-cyclohexyl-4-methylquinoline
CID 175925044
2-cyclododecyl-4-methylquinoline
CID 10566873
(2-phenoxyphenyl)cycloheptane
CID 56995549
2,4-di(cycloheptyl)quinoline
CID 102287127
6-cyclohexyl-3-fluorophenanthridine
CID 102531924
1-cycloundecylisoquinoline
CID 137392148
7,12-dicyclohexylbenzo[j]phenanthridine
CID 59183915
2-(4-fluorophenoxy)quinazolin-4-amine
CID 57221110
4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide
CID 174721221

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-phenoxyquinazoline?
The IUPAC name of 4-cyclohexyl-2-phenoxyquinazoline (CID 44519771) is 4-cyclohexyl-2-phenoxyquinazoline.
What is the SMILES notation for 4-cyclohexyl-2-phenoxyquinazoline?
The canonical SMILES for 4-cyclohexyl-2-phenoxyquinazoline is c1ccc(Oc2nc(C3CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of 4-cyclohexyl-2-phenoxyquinazoline?
The InChIKey is UUPWTKUATKRORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(22-19)23-16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2.
What are the key properties of 4-cyclohexyl-2-phenoxyquinazoline?
4-cyclohexyl-2-phenoxyquinazoline has a molecular weight of 304.39 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-phenoxyquinazoline is sourced from PubChem (CID 44519771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).