5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine

C25H21N3 — CID 25016238

IUPAC5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine
SMILES[H]/N=C(\c1ccccc1)c1cccc2nc(N[C@@H]3CCc4ccccc43)ccc12
InChIInChI=1S/C25H21N3/c26-25(18-8-2-1-3-9-18)21-11-6-12-22-20(21)14-16-24(27-22)28-23-15-13-17-7-4-5-10-19(17)23/h1-12,14,16,23,26H,13,15H2,(H,27,28)/b26-25+/t23-/m1/s1
InChIKeyXQLKWUBIMYIESC-LEMNQXRHSA-N
MW363.46 g/mol
LogP5.75
Rot. Bonds4

About 5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine

5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine (PubChem CID 25016238) has the molecular formula C25H21N3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine.

Molecular Properties

Compound Name5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine
PubChem CID25016238
Molecular FormulaC25H21N3
Molecular Weight363.46 g/mol
Exact Mass363.17
IUPAC Name5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine
SMILES[H]/N=C(\c1ccccc1)c1cccc2nc(N[C@@H]3CCc4ccccc43)ccc12
InChIInChI=1S/C25H21N3/c26-25(18-8-2-1-3-9-18)21-11-6-12-22-20(21)14-16-24(27-22)28-23-15-13-17-7-4-5-10-19(17)23/h1-12,14,16,23,26H,13,15H2,(H,27,28)/b26-25+/t23-/m1/s1
InChIKeyXQLKWUBIMYIESC-LEMNQXRHSA-N
XLogP5.75
TPSA48.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-fluorobenzenecarboximidoyl)quinolin-2-amine
CID 86620841
(3,5-difluorophenyl)-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]methanone
CID 77225077
5-(2-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine
CID 25016500
2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine
CID 25016501
6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine
CID 68914486
6-(aminomethyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine
CID 68628477
2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine
CID 67096011
N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 74953644
N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(4-methoxyphenyl)acetamide
CID 74953808
N-(2,3-dihydro-1H-inden-1-yl)-6-fluoropyridin-2-amine
CID 115591065
1-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-3-phenylurea
CID 74953904
N-(2,3-dihydro-1H-inden-1-yl)-5-[(3-methoxyphenyl)methoxy]quinolin-2-amine
CID 67096058

Frequently Asked Questions

What is the IUPAC name of 5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine?
The IUPAC name of 5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine (CID 25016238) is 5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine.
What is the SMILES notation for 5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine?
The canonical SMILES for 5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine is [H]/N=C(\c1ccccc1)c1cccc2nc(N[C@@H]3CCc4ccccc43)ccc12.
What is the InChIKey of 5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine?
The InChIKey is XQLKWUBIMYIESC-LEMNQXRHSA-N. The full InChI is InChI=1S/C25H21N3/c26-25(18-8-2-1-3-9-18)21-11-6-12-22-20(21)14-16-24(27-22)28-23-15-13-17-7-4-5-10-19(17)23/h1-12,14,16,23,26H,13,15H2,(H,27,28)/b26-25+/t23-/m1/s1.
What are the key properties of 5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine?
5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine has a molecular weight of 363.46 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenecarboximidoyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine is sourced from PubChem (CID 25016238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).