2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine

C26H22N4 — CID 25016501

IUPAC2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine
SMILESc1ccc2c(c1)CC[C@H]2Nc1ccc2c(Nc3cccc4cc[nH]c34)cccc2n1
InChIInChI=1S/C26H22N4/c1-2-7-19-17(5-1)11-13-23(19)30-25-14-12-20-21(8-4-9-22(20)29-25)28-24-10-3-6-18-15-16-27-26(18)24/h1-10,12,14-16,23,27-28H,11,13H2,(H,29,30)/t23-/m1/s1
InChIKeyPDNPFMWQBXJZFJ-HSZRJFAPSA-N
MW390.49 g/mol
LogP6.56
Rot. Bonds4

About 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine

2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine (PubChem CID 25016501) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine.

Molecular Properties

Compound Name2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine
PubChem CID25016501
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC Name2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine
SMILESc1ccc2c(c1)CC[C@H]2Nc1ccc2c(Nc3cccc4cc[nH]c34)cccc2n1
InChIInChI=1S/C26H22N4/c1-2-7-19-17(5-1)11-13-23(19)30-25-14-12-20-21(8-4-9-22(20)29-25)28-24-10-3-6-18-15-16-27-26(18)24/h1-10,12,14-16,23,27-28H,11,13H2,(H,29,30)/t23-/m1/s1
InChIKeyPDNPFMWQBXJZFJ-HSZRJFAPSA-N
XLogP6.56
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine?
The IUPAC name of 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine (CID 25016501) is 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine.
What is the SMILES notation for 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine?
The canonical SMILES for 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine is c1ccc2c(c1)CC[C@H]2Nc1ccc2c(Nc3cccc4cc[nH]c34)cccc2n1.
What is the InChIKey of 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine?
The InChIKey is PDNPFMWQBXJZFJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H22N4/c1-2-7-19-17(5-1)11-13-23(19)30-25-14-12-20-21(8-4-9-22(20)29-25)28-24-10-3-6-18-15-16-27-26(18)24/h1-10,12,14-16,23,27-28H,11,13H2,(H,29,30)/t23-/m1/s1.
What are the key properties of 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine?
2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine has a molecular weight of 390.49 g/mol, XLogP of 6.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-7-yl)quinoline-2,5-diamine is sourced from PubChem (CID 25016501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).