5-(3,3-difluorocyclopentyl)-2-(3,5-dimethylphenyl)quinazoline

C21H20F2N2 — CID 170222107

IUPAC5-(3,3-difluorocyclopentyl)-2-(3,5-dimethylphenyl)quinazoline
SMILESCc1cc(C)cc(-c2ncc3c(C4CCC(F)(F)C4)cccc3n2)c1
InChIInChI=1S/C21H20F2N2/c1-13-8-14(2)10-16(9-13)20-24-12-18-17(4-3-5-19(18)25-20)15-6-7-21(22,23)11-15/h3-5,8-10,12,15H,6-7,11H2,1-2H3
InChIKeyMWIDPXJNHJUIBI-UHFFFAOYSA-N
MW338.40 g/mol
LogP5.82
Rot. Bonds2

About 5-(3,3-difluorocyclopentyl)-2-(3,5-dimethylphenyl)quinazoline

5-(3,3-difluorocyclopentyl)-2-(3,5-dimethylphenyl)quinazoline (PubChem CID 170222107) has the molecular formula C21H20F2N2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 5-(3,3-difluorocyclopentyl)-2-(3,5-dimethylphenyl)quinazoline.

Molecular Properties

Compound Name5-(3,3-difluorocyclopentyl)-2-(3,5-dimethylphenyl)quinazoline
PubChem CID170222107
Molecular FormulaC21H20F2N2
Molecular Weight338.40 g/mol
Exact Mass338.16
IUPAC Name5-(3,3-difluorocyclopentyl)-2-(3,5-dimethylphenyl)quinazoline
SMILESCc1cc(C)cc(-c2ncc3c(C4CCC(F)(F)C4)cccc3n2)c1
InChIInChI=1S/C21H20F2N2/c1-13-8-14(2)10-16(9-13)20-24-12-18-17(4-3-5-19(18)25-20)15-6-7-21(22,23)11-15/h3-5,8-10,12,15H,6-7,11H2,1-2H3
InChIKeyMWIDPXJNHJUIBI-UHFFFAOYSA-N
XLogP5.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.40
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 46202416
CID 46202416
CID 5496989
CID 5496989
CID 5288016
CID 5288016
CID 262952
CID 262952
CID 720610
CID 720610
CID 721010
CID 721010
CID 16086113
CID 16086113
CID 16214904
CID 16214904
CID 25138149
CID 25138149
CID 90054733
CID 90054733
CID 10238413
CID 10238413
CID 11723422
CID 11723422

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluorocyclopentyl)-2-(3,5-dimethylphenyl)quinazoline?
The IUPAC name of 5-(3,3-difluorocyclopentyl)-2-(3,5-dimethylphenyl)quinazoline (CID 170222107) is 5-(3,3-difluorocyclopentyl)-2-(3,5-dimethylphenyl)quinazoline.
What is the SMILES notation for 5-(3,3-difluorocyclopentyl)-2-(3,5-dimethylphenyl)quinazoline?
The canonical SMILES for 5-(3,3-difluorocyclopentyl)-2-(3,5-dimethylphenyl)quinazoline is Cc1cc(C)cc(-c2ncc3c(C4CCC(F)(F)C4)cccc3n2)c1.
What is the InChIKey of 5-(3,3-difluorocyclopentyl)-2-(3,5-dimethylphenyl)quinazoline?
The InChIKey is MWIDPXJNHJUIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2/c1-13-8-14(2)10-16(9-13)20-24-12-18-17(4-3-5-19(18)25-20)15-6-7-21(22,23)11-15/h3-5,8-10,12,15H,6-7,11H2,1-2H3.
What are the key properties of 5-(3,3-difluorocyclopentyl)-2-(3,5-dimethylphenyl)quinazoline?
5-(3,3-difluorocyclopentyl)-2-(3,5-dimethylphenyl)quinazoline has a molecular weight of 338.40 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluorocyclopentyl)-2-(3,5-dimethylphenyl)quinazoline is sourced from PubChem (CID 170222107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).