[2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone

C28H23F2N5O2 — CID 46701364

IUPAC[2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESNc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccccc3C(=O)N3CCC(F)(F)C3)ccc2n1
InChIInChI=1S/C28H23F2N5O2/c29-28(30)11-12-34(16-28)25(36)21-8-4-3-7-20(21)17-9-10-23-22(13-17)24(33-27(31)32-23)26(37)35-14-18-5-1-2-6-19(18)15-35/h1-10,13H,11-12,14-16H2,(H2,31,32,33)
InChIKeyRZLWKPJXKXFUQB-UHFFFAOYSA-N
MW499.52 g/mol
LogP4.52
Rot. Bonds3

About [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone

[2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone (PubChem CID 46701364) has the molecular formula C28H23F2N5O2 and a molecular weight of 499.52 g/mol. Its IUPAC name is [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
PubChem CID46701364
Molecular FormulaC28H23F2N5O2
Molecular Weight499.52 g/mol
Exact Mass499.18
IUPAC Name[2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESNc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccccc3C(=O)N3CCC(F)(F)C3)ccc2n1
InChIInChI=1S/C28H23F2N5O2/c29-28(30)11-12-34(16-28)25(36)21-8-4-3-7-20(21)17-9-10-23-22(13-17)24(33-27(31)32-23)26(37)35-14-18-5-1-2-6-19(18)15-35/h1-10,13H,11-12,14-16H2,(H2,31,32,33)
InChIKeyRZLWKPJXKXFUQB-UHFFFAOYSA-N
XLogP4.52
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The IUPAC name of [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone (CID 46701364) is [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The canonical SMILES for [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone is Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccccc3C(=O)N3CCC(F)(F)C3)ccc2n1.
What is the InChIKey of [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The InChIKey is RZLWKPJXKXFUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N5O2/c29-28(30)11-12-34(16-28)25(36)21-8-4-3-7-20(21)17-9-10-23-22(13-17)24(33-27(31)32-23)26(37)35-14-18-5-1-2-6-19(18)15-35/h1-10,13H,11-12,14-16H2,(H2,31,32,33).
What are the key properties of [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone?
[2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone has a molecular weight of 499.52 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 46701364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).