4-N-(cyclopentylmethyl)-2-N-(2,3-dihydro-1H-inden-5-yl)quinoline-2,4-diamine

C24H27N3 — CID 91486930

IUPAC4-N-(cyclopentylmethyl)-2-N-(2,3-dihydro-1H-inden-5-yl)quinoline-2,4-diamine
SMILESc1ccc2c(NCC3CCCC3)cc(Nc3ccc4c(c3)CCC4)nc2c1
InChIInChI=1S/C24H27N3/c1-2-7-17(6-1)16-25-23-15-24(27-22-11-4-3-10-21(22)23)26-20-13-12-18-8-5-9-19(18)14-20/h3-4,10-15,17H,1-2,5-9,16H2,(H2,25,26,27)
InChIKeyKERLLJWKEIOCSK-UHFFFAOYSA-N
MW357.50 g/mol
LogP6.07
Rot. Bonds5

About 4-N-(cyclopentylmethyl)-2-N-(2,3-dihydro-1H-inden-5-yl)quinoline-2,4-diamine

4-N-(cyclopentylmethyl)-2-N-(2,3-dihydro-1H-inden-5-yl)quinoline-2,4-diamine (PubChem CID 91486930) has the molecular formula C24H27N3 and a molecular weight of 357.50 g/mol. Its IUPAC name is 4-N-(cyclopentylmethyl)-2-N-(2,3-dihydro-1H-inden-5-yl)quinoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopentylmethyl)-2-N-(2,3-dihydro-1H-inden-5-yl)quinoline-2,4-diamine
PubChem CID91486930
Molecular FormulaC24H27N3
Molecular Weight357.50 g/mol
Exact Mass357.22
IUPAC Name4-N-(cyclopentylmethyl)-2-N-(2,3-dihydro-1H-inden-5-yl)quinoline-2,4-diamine
SMILESc1ccc2c(NCC3CCCC3)cc(Nc3ccc4c(c3)CCC4)nc2c1
InChIInChI=1S/C24H27N3/c1-2-7-17(6-1)16-25-23-15-24(27-22-11-4-3-10-21(22)23)26-20-13-12-18-8-5-9-19(18)14-20/h3-4,10-15,17H,1-2,5-9,16H2,(H2,25,26,27)
InChIKeyKERLLJWKEIOCSK-UHFFFAOYSA-N
XLogP6.07
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopentylmethyl)-2-N-(2,3-dihydro-1H-inden-5-yl)quinoline-2,4-diamine?
The IUPAC name of 4-N-(cyclopentylmethyl)-2-N-(2,3-dihydro-1H-inden-5-yl)quinoline-2,4-diamine (CID 91486930) is 4-N-(cyclopentylmethyl)-2-N-(2,3-dihydro-1H-inden-5-yl)quinoline-2,4-diamine.
What is the SMILES notation for 4-N-(cyclopentylmethyl)-2-N-(2,3-dihydro-1H-inden-5-yl)quinoline-2,4-diamine?
The canonical SMILES for 4-N-(cyclopentylmethyl)-2-N-(2,3-dihydro-1H-inden-5-yl)quinoline-2,4-diamine is c1ccc2c(NCC3CCCC3)cc(Nc3ccc4c(c3)CCC4)nc2c1.
What is the InChIKey of 4-N-(cyclopentylmethyl)-2-N-(2,3-dihydro-1H-inden-5-yl)quinoline-2,4-diamine?
The InChIKey is KERLLJWKEIOCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3/c1-2-7-17(6-1)16-25-23-15-24(27-22-11-4-3-10-21(22)23)26-20-13-12-18-8-5-9-19(18)14-20/h3-4,10-15,17H,1-2,5-9,16H2,(H2,25,26,27).
What are the key properties of 4-N-(cyclopentylmethyl)-2-N-(2,3-dihydro-1H-inden-5-yl)quinoline-2,4-diamine?
4-N-(cyclopentylmethyl)-2-N-(2,3-dihydro-1H-inden-5-yl)quinoline-2,4-diamine has a molecular weight of 357.50 g/mol, XLogP of 6.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopentylmethyl)-2-N-(2,3-dihydro-1H-inden-5-yl)quinoline-2,4-diamine is sourced from PubChem (CID 91486930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).