2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide

C28H28N6O2 — CID 59483504

IUPAC2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccccc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C28H28N6O2/c1-33(2)14-13-30-26(35)22-10-6-5-9-21(22)18-11-12-24-23(15-18)25(32-28(29)31-24)27(36)34-16-19-7-3-4-8-20(19)17-34/h3-12,15H,13-14,16-17H2,1-2H3,(H,30,35)(H2,29,31,32)
InChIKeyKJHYJGLHYJNAGE-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.33
Rot. Bonds6

About 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide

2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 59483504) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID59483504
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccccc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C28H28N6O2/c1-33(2)14-13-30-26(35)22-10-6-5-9-21(22)18-11-12-24-23(15-18)25(32-28(29)31-24)27(36)34-16-19-7-3-4-8-20(19)17-34/h3-12,15H,13-14,16-17H2,1-2H3,(H,30,35)(H2,29,31,32)
InChIKeyKJHYJGLHYJNAGE-UHFFFAOYSA-N
XLogP3.33
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide (CID 59483504) is 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1ccccc1-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-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is KJHYJGLHYJNAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-33(2)14-13-30-26(35)22-10-6-5-9-21(22)18-11-12-24-23(15-18)25(32-28(29)31-24)27(36)34-16-19-7-3-4-8-20(19)17-34/h3-12,15H,13-14,16-17H2,1-2H3,(H,30,35)(H2,29,31,32).
What are the key properties of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 480.57 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 59483504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).