N-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride

C23H26ClN3O — CID 45259350

IUPACN-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride
SMILESCC(=O)NC1(c2ccccc2)C2=NCC3(CCCC3)CN2c2ccccc21.Cl
InChIInChI=1S/C23H25N3O.ClH/c1-17(27)25-23(18-9-3-2-4-10-18)19-11-5-6-12-20(19)26-16-22(13-7-8-14-22)15-24-21(23)26;/h2-6,9-12H,7-8,13-16H2,1H3,(H,25,27);1H
InChIKeyQAHVJKADHNMHRQ-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.28
Rot. Bonds2

About N-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride

N-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride (PubChem CID 45259350) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is N-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride
PubChem CID45259350
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC NameN-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride
SMILESCC(=O)NC1(c2ccccc2)C2=NCC3(CCCC3)CN2c2ccccc21.Cl
InChIInChI=1S/C23H25N3O.ClH/c1-17(27)25-23(18-9-3-2-4-10-18)19-11-5-6-12-20(19)26-16-22(13-7-8-14-22)15-24-21(23)26;/h2-6,9-12H,7-8,13-16H2,1H3,(H,25,27);1H
InChIKeyQAHVJKADHNMHRQ-UHFFFAOYSA-N
XLogP4.28
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride 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 N-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride?
The IUPAC name of N-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride (CID 45259350) is N-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride?
The canonical SMILES for N-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride is CC(=O)NC1(c2ccccc2)C2=NCC3(CCCC3)CN2c2ccccc21.Cl.
What is the InChIKey of N-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride?
The InChIKey is QAHVJKADHNMHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O.ClH/c1-17(27)25-23(18-9-3-2-4-10-18)19-11-5-6-12-20(19)26-16-22(13-7-8-14-22)15-24-21(23)26;/h2-6,9-12H,7-8,13-16H2,1H3,(H,25,27);1H.
What are the key properties of N-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride?
N-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride is sourced from PubChem (CID 45259350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).