6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline

C19H17ClFN3 — CID 59213754

IUPAC6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline
SMILESCC1CCCN1c1nc(-c2ccccc2F)nc2ccc(Cl)cc12
InChIInChI=1S/C19H17ClFN3/c1-12-5-4-10-24(12)19-15-11-13(20)8-9-17(15)22-18(23-19)14-6-2-3-7-16(14)21/h2-3,6-9,11-12H,4-5,10H2,1H3
InChIKeyCUICNVWOFQOSNY-UHFFFAOYSA-N
MW341.82 g/mol
LogP5.08
Rot. Bonds2

About 6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline

6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline (PubChem CID 59213754) has the molecular formula C19H17ClFN3 and a molecular weight of 341.82 g/mol. Its IUPAC name is 6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline.

Molecular Properties

Compound Name6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline
PubChem CID59213754
Molecular FormulaC19H17ClFN3
Molecular Weight341.82 g/mol
Exact Mass341.11
IUPAC Name6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline
SMILESCC1CCCN1c1nc(-c2ccccc2F)nc2ccc(Cl)cc12
InChIInChI=1S/C19H17ClFN3/c1-12-5-4-10-24(12)19-15-11-13(20)8-9-17(15)22-18(23-19)14-6-2-3-7-16(14)21/h2-3,6-9,11-12H,4-5,10H2,1H3
InChIKeyCUICNVWOFQOSNY-UHFFFAOYSA-N
XLogP5.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.82
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline?
The IUPAC name of 6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline (CID 59213754) is 6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline.
What is the SMILES notation for 6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline?
The canonical SMILES for 6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline is CC1CCCN1c1nc(-c2ccccc2F)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline?
The InChIKey is CUICNVWOFQOSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3/c1-12-5-4-10-24(12)19-15-11-13(20)8-9-17(15)22-18(23-19)14-6-2-3-7-16(14)21/h2-3,6-9,11-12H,4-5,10H2,1H3.
What are the key properties of 6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline?
6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline has a molecular weight of 341.82 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline is sourced from PubChem (CID 59213754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).