N-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine

C20H19N3 — CID 171106526

IUPACN-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine
SMILESCC(C)c1ccc2ccc(Nc3ccc4[nH]ccc4c3)nc2c1
InChIInChI=1S/C20H19N3/c1-13(2)15-4-3-14-5-8-20(23-19(14)12-15)22-17-6-7-18-16(11-17)9-10-21-18/h3-13,21H,1-2H3,(H,22,23)
InChIKeySXJKBGLUQMTOSV-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.58
Rot. Bonds3

About N-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine

N-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine (PubChem CID 171106526) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine
PubChem CID171106526
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC NameN-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine
SMILESCC(C)c1ccc2ccc(Nc3ccc4[nH]ccc4c3)nc2c1
InChIInChI=1S/C20H19N3/c1-13(2)15-4-3-14-5-8-20(23-19(14)12-15)22-17-6-7-18-16(11-17)9-10-21-18/h3-13,21H,1-2H3,(H,22,23)
InChIKeySXJKBGLUQMTOSV-UHFFFAOYSA-N
XLogP5.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-7-propan-2-ylquinolin-2-amine
CID 126500193
5-propan-2-yl-1H-indole
CID 10558918
N-[5,6-bis(ethenyl)-2-pyridinyl]-1H-indol-5-amine;ethane
CID 171106670
N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine
CID 88557543
N-(4-methylphenyl)-1H-indol-5-amine
CID 58867969
N-[1-(4-fluorophenyl)ethyl]-1H-indol-5-amine
CID 43204264
N-(2-methyl-1-phenylpropyl)-1H-indol-5-amine
CID 43768692
N-(4-ethyl-2-pyridinyl)-1H-indol-5-amine
CID 155412453
N-(2-methylpropyl)-1H-indol-5-amine
CID 43204243
(1R)-1-(1H-indol-5-yl)-N-methylethanamine
CID 55276552
3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole
CID 178169617
5-(1-chloroethyl)-1H-indole
CID 174700849

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine?
The IUPAC name of N-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine (CID 171106526) is N-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine.
What is the SMILES notation for N-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine?
The canonical SMILES for N-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine is CC(C)c1ccc2ccc(Nc3ccc4[nH]ccc4c3)nc2c1.
What is the InChIKey of N-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine?
The InChIKey is SXJKBGLUQMTOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-13(2)15-4-3-14-5-8-20(23-19(14)12-15)22-17-6-7-18-16(11-17)9-10-21-18/h3-13,21H,1-2H3,(H,22,23).
What are the key properties of N-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine?
N-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine has a molecular weight of 301.39 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 171106526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).