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

C25H27N5O2 — CID 52938820

IUPAC1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-propylcyclobutane-1-carboxamide
SMILESCCCNC(=O)C1(c2ccc3nc(N)nc(C(=O)N4Cc5ccccc5C4)c3c2)CCC1
InChIInChI=1S/C25H27N5O2/c1-2-12-27-23(32)25(10-5-11-25)18-8-9-20-19(13-18)21(29-24(26)28-20)22(31)30-14-16-6-3-4-7-17(16)15-30/h3-4,6-9,13H,2,5,10-12,14-15H2,1H3,(H,27,32)(H2,26,28,29)
InChIKeyVNKSAUGEQFSALU-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.32
Rot. Bonds5

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

1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-propylcyclobutane-1-carboxamide (PubChem CID 52938820) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-propylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-propylcyclobutane-1-carboxamide
PubChem CID52938820
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-propylcyclobutane-1-carboxamide
SMILESCCCNC(=O)C1(c2ccc3nc(N)nc(C(=O)N4Cc5ccccc5C4)c3c2)CCC1
InChIInChI=1S/C25H27N5O2/c1-2-12-27-23(32)25(10-5-11-25)18-8-9-20-19(13-18)21(29-24(26)28-20)22(31)30-14-16-6-3-4-7-17(16)15-30/h3-4,6-9,13H,2,5,10-12,14-15H2,1H3,(H,27,32)(H2,26,28,29)
InChIKeyVNKSAUGEQFSALU-UHFFFAOYSA-N
XLogP3.32
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-propylcyclobutane-1-carboxamide 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 1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-propylcyclobutane-1-carboxamide?
The IUPAC name of 1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-propylcyclobutane-1-carboxamide (CID 52938820) is 1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-propylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-propylcyclobutane-1-carboxamide?
The canonical SMILES for 1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-propylcyclobutane-1-carboxamide is CCCNC(=O)C1(c2ccc3nc(N)nc(C(=O)N4Cc5ccccc5C4)c3c2)CCC1.
What is the InChIKey of 1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-propylcyclobutane-1-carboxamide?
The InChIKey is VNKSAUGEQFSALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-2-12-27-23(32)25(10-5-11-25)18-8-9-20-19(13-18)21(29-24(26)28-20)22(31)30-14-16-6-3-4-7-17(16)15-30/h3-4,6-9,13H,2,5,10-12,14-15H2,1H3,(H,27,32)(H2,26,28,29).
What are the key properties of 1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-propylcyclobutane-1-carboxamide?
1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-propylcyclobutane-1-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-propylcyclobutane-1-carboxamide is sourced from PubChem (CID 52938820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).