2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-imidazol-1-ylpropyl)quinoline-2,6-diamine

C24H25N5 — CID 68918017

IUPAC2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-imidazol-1-ylpropyl)quinoline-2,6-diamine
SMILESNc1ccc2nc(N[C@@H]3CCc4ccccc43)c(CCCn3ccnc3)cc2c1
InChIInChI=1S/C24H25N5/c25-20-8-10-22-19(15-20)14-18(5-3-12-29-13-11-26-16-29)24(27-22)28-23-9-7-17-4-1-2-6-21(17)23/h1-2,4,6,8,10-11,13-16,23H,3,5,7,9,12,25H2,(H,27,28)/t23-/m1/s1
InChIKeyXRVIKLATVYIGLT-HSZRJFAPSA-N
MW383.50 g/mol
LogP4.75
Rot. Bonds6

About 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-imidazol-1-ylpropyl)quinoline-2,6-diamine

2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-imidazol-1-ylpropyl)quinoline-2,6-diamine (PubChem CID 68918017) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-imidazol-1-ylpropyl)quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-imidazol-1-ylpropyl)quinoline-2,6-diamine
PubChem CID68918017
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-imidazol-1-ylpropyl)quinoline-2,6-diamine
SMILESNc1ccc2nc(N[C@@H]3CCc4ccccc43)c(CCCn3ccnc3)cc2c1
InChIInChI=1S/C24H25N5/c25-20-8-10-22-19(15-20)14-18(5-3-12-29-13-11-26-16-29)24(27-22)28-23-9-7-17-4-1-2-6-21(17)23/h1-2,4,6,8,10-11,13-16,23H,3,5,7,9,12,25H2,(H,27,28)/t23-/m1/s1
InChIKeyXRVIKLATVYIGLT-HSZRJFAPSA-N
XLogP4.75
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-imidazol-1-ylpropyl)quinoline-2,6-diamine?
The IUPAC name of 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-imidazol-1-ylpropyl)quinoline-2,6-diamine (CID 68918017) is 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-imidazol-1-ylpropyl)quinoline-2,6-diamine.
What is the SMILES notation for 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-imidazol-1-ylpropyl)quinoline-2,6-diamine?
The canonical SMILES for 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-imidazol-1-ylpropyl)quinoline-2,6-diamine is Nc1ccc2nc(N[C@@H]3CCc4ccccc43)c(CCCn3ccnc3)cc2c1.
What is the InChIKey of 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-imidazol-1-ylpropyl)quinoline-2,6-diamine?
The InChIKey is XRVIKLATVYIGLT-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25N5/c25-20-8-10-22-19(15-20)14-18(5-3-12-29-13-11-26-16-29)24(27-22)28-23-9-7-17-4-1-2-6-21(17)23/h1-2,4,6,8,10-11,13-16,23H,3,5,7,9,12,25H2,(H,27,28)/t23-/m1/s1.
What are the key properties of 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-imidazol-1-ylpropyl)quinoline-2,6-diamine?
2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-imidazol-1-ylpropyl)quinoline-2,6-diamine has a molecular weight of 383.50 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-imidazol-1-ylpropyl)quinoline-2,6-diamine is sourced from PubChem (CID 68918017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).