7-(3,3-difluorocyclopentyl)-4-(3,5-dimethylphenyl)-2-methylquinazoline

C22H22F2N2 — CID 170222248

IUPAC7-(3,3-difluorocyclopentyl)-4-(3,5-dimethylphenyl)-2-methylquinazoline
SMILESCc1cc(C)cc(-c2nc(C)nc3cc(C4CCC(F)(F)C4)ccc23)c1
InChIInChI=1S/C22H22F2N2/c1-13-8-14(2)10-18(9-13)21-19-5-4-16(11-20(19)25-15(3)26-21)17-6-7-22(23,24)12-17/h4-5,8-11,17H,6-7,12H2,1-3H3
InChIKeyTYYUWISULBHMKM-UHFFFAOYSA-N
MW352.43 g/mol
LogP6.12
Rot. Bonds2

About 7-(3,3-difluorocyclopentyl)-4-(3,5-dimethylphenyl)-2-methylquinazoline

7-(3,3-difluorocyclopentyl)-4-(3,5-dimethylphenyl)-2-methylquinazoline (PubChem CID 170222248) has the molecular formula C22H22F2N2 and a molecular weight of 352.43 g/mol. Its IUPAC name is 7-(3,3-difluorocyclopentyl)-4-(3,5-dimethylphenyl)-2-methylquinazoline.

Molecular Properties

Compound Name7-(3,3-difluorocyclopentyl)-4-(3,5-dimethylphenyl)-2-methylquinazoline
PubChem CID170222248
Molecular FormulaC22H22F2N2
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name7-(3,3-difluorocyclopentyl)-4-(3,5-dimethylphenyl)-2-methylquinazoline
SMILESCc1cc(C)cc(-c2nc(C)nc3cc(C4CCC(F)(F)C4)ccc23)c1
InChIInChI=1S/C22H22F2N2/c1-13-8-14(2)10-18(9-13)21-19-5-4-16(11-20(19)25-15(3)26-21)17-6-7-22(23,24)12-17/h4-5,8-11,17H,6-7,12H2,1-3H3
InChIKeyTYYUWISULBHMKM-UHFFFAOYSA-N
XLogP6.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(3,3-difluorocyclopentyl)-4-(3,5-dimethylphenyl)-2-methylquinazoline?
The IUPAC name of 7-(3,3-difluorocyclopentyl)-4-(3,5-dimethylphenyl)-2-methylquinazoline (CID 170222248) is 7-(3,3-difluorocyclopentyl)-4-(3,5-dimethylphenyl)-2-methylquinazoline.
What is the SMILES notation for 7-(3,3-difluorocyclopentyl)-4-(3,5-dimethylphenyl)-2-methylquinazoline?
The canonical SMILES for 7-(3,3-difluorocyclopentyl)-4-(3,5-dimethylphenyl)-2-methylquinazoline is Cc1cc(C)cc(-c2nc(C)nc3cc(C4CCC(F)(F)C4)ccc23)c1.
What is the InChIKey of 7-(3,3-difluorocyclopentyl)-4-(3,5-dimethylphenyl)-2-methylquinazoline?
The InChIKey is TYYUWISULBHMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2/c1-13-8-14(2)10-18(9-13)21-19-5-4-16(11-20(19)25-15(3)26-21)17-6-7-22(23,24)12-17/h4-5,8-11,17H,6-7,12H2,1-3H3.
What are the key properties of 7-(3,3-difluorocyclopentyl)-4-(3,5-dimethylphenyl)-2-methylquinazoline?
7-(3,3-difluorocyclopentyl)-4-(3,5-dimethylphenyl)-2-methylquinazoline has a molecular weight of 352.43 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-difluorocyclopentyl)-4-(3,5-dimethylphenyl)-2-methylquinazoline is sourced from PubChem (CID 170222248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).