2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-4-fluorobenzamide

C28H26FN5O2 — CID 46701629

IUPAC2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-4-fluorobenzamide
SMILESCCN(CC)C(=O)c1ccc(F)cc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C28H26FN5O2/c1-3-33(4-2)26(35)21-11-10-20(29)14-22(21)17-9-12-24-23(13-17)25(32-28(30)31-24)27(36)34-15-18-7-5-6-8-19(18)16-34/h5-14H,3-4,15-16H2,1-2H3,(H2,30,31,32)
InChIKeyRNUXMSGZHJGLID-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.66
Rot. Bonds5

About 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-4-fluorobenzamide

2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-4-fluorobenzamide (PubChem CID 46701629) has the molecular formula C28H26FN5O2 and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-4-fluorobenzamide.

Molecular Properties

Compound Name2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-4-fluorobenzamide
PubChem CID46701629
Molecular FormulaC28H26FN5O2
Molecular Weight483.55 g/mol
Exact Mass483.21
IUPAC Name2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-4-fluorobenzamide
SMILESCCN(CC)C(=O)c1ccc(F)cc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C28H26FN5O2/c1-3-33(4-2)26(35)21-11-10-20(29)14-22(21)17-9-12-24-23(13-17)25(32-28(30)31-24)27(36)34-15-18-7-5-6-8-19(18)16-34/h5-14H,3-4,15-16H2,1-2H3,(H2,30,31,32)
InChIKeyRNUXMSGZHJGLID-UHFFFAOYSA-N
XLogP4.66
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-4-fluorobenzamide 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]-N,N-diethyl-4-fluorobenzamide?
The IUPAC name of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-4-fluorobenzamide (CID 46701629) is 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-4-fluorobenzamide.
What is the SMILES notation for 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-4-fluorobenzamide?
The canonical SMILES for 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-4-fluorobenzamide is CCN(CC)C(=O)c1ccc(F)cc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1.
What is the InChIKey of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-4-fluorobenzamide?
The InChIKey is RNUXMSGZHJGLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2/c1-3-33(4-2)26(35)21-11-10-20(29)14-22(21)17-9-12-24-23(13-17)25(32-28(30)31-24)27(36)34-15-18-7-5-6-8-19(18)16-34/h5-14H,3-4,15-16H2,1-2H3,(H2,30,31,32).
What are the key properties of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-4-fluorobenzamide?
2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N,N-diethyl-4-fluorobenzamide has a molecular weight of 483.55 g/mol, XLogP of 4.66, 5 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]-N,N-diethyl-4-fluorobenzamide is sourced from PubChem (CID 46701629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).