2-(difluoromethyl)-4-[2-(4-methylphenyl)pyrrolidin-1-yl]quinazoline

C20H19F2N3 — CID 56575058

IUPAC2-(difluoromethyl)-4-[2-(4-methylphenyl)pyrrolidin-1-yl]quinazoline
SMILESCc1ccc(C2CCCN2c2nc(C(F)F)nc3ccccc23)cc1
InChIInChI=1S/C20H19F2N3/c1-13-8-10-14(11-9-13)17-7-4-12-25(17)20-15-5-2-3-6-16(15)23-19(24-20)18(21)22/h2-3,5-6,8-11,17-18H,4,7,12H2,1H3
InChIKeyKIAKISLNYLDXJZ-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.22
Rot. Bonds3

About 2-(difluoromethyl)-4-[2-(4-methylphenyl)pyrrolidin-1-yl]quinazoline

2-(difluoromethyl)-4-[2-(4-methylphenyl)pyrrolidin-1-yl]quinazoline (PubChem CID 56575058) has the molecular formula C20H19F2N3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-[2-(4-methylphenyl)pyrrolidin-1-yl]quinazoline.

Molecular Properties

Compound Name2-(difluoromethyl)-4-[2-(4-methylphenyl)pyrrolidin-1-yl]quinazoline
PubChem CID56575058
Molecular FormulaC20H19F2N3
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-(difluoromethyl)-4-[2-(4-methylphenyl)pyrrolidin-1-yl]quinazoline
SMILESCc1ccc(C2CCCN2c2nc(C(F)F)nc3ccccc23)cc1
InChIInChI=1S/C20H19F2N3/c1-13-8-10-14(11-9-13)17-7-4-12-25(17)20-15-5-2-3-6-16(15)23-19(24-20)18(21)22/h2-3,5-6,8-11,17-18H,4,7,12H2,1H3
InChIKeyKIAKISLNYLDXJZ-UHFFFAOYSA-N
XLogP5.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-[2-(4-methylphenyl)pyrrolidin-1-yl]quinazoline?
The IUPAC name of 2-(difluoromethyl)-4-[2-(4-methylphenyl)pyrrolidin-1-yl]quinazoline (CID 56575058) is 2-(difluoromethyl)-4-[2-(4-methylphenyl)pyrrolidin-1-yl]quinazoline.
What is the SMILES notation for 2-(difluoromethyl)-4-[2-(4-methylphenyl)pyrrolidin-1-yl]quinazoline?
The canonical SMILES for 2-(difluoromethyl)-4-[2-(4-methylphenyl)pyrrolidin-1-yl]quinazoline is Cc1ccc(C2CCCN2c2nc(C(F)F)nc3ccccc23)cc1.
What is the InChIKey of 2-(difluoromethyl)-4-[2-(4-methylphenyl)pyrrolidin-1-yl]quinazoline?
The InChIKey is KIAKISLNYLDXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3/c1-13-8-10-14(11-9-13)17-7-4-12-25(17)20-15-5-2-3-6-16(15)23-19(24-20)18(21)22/h2-3,5-6,8-11,17-18H,4,7,12H2,1H3.
What are the key properties of 2-(difluoromethyl)-4-[2-(4-methylphenyl)pyrrolidin-1-yl]quinazoline?
2-(difluoromethyl)-4-[2-(4-methylphenyl)pyrrolidin-1-yl]quinazoline has a molecular weight of 339.39 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-[2-(4-methylphenyl)pyrrolidin-1-yl]quinazoline is sourced from PubChem (CID 56575058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).