N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-1-ium-2-amine

C20H20N3+ — CID 6926350

IUPACN-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-1-ium-2-amine
SMILESC[C@H](Cc1c[nH]c2ccccc12)Nc1ccc2ccccc2[nH+]1
InChIInChI=1S/C20H19N3/c1-14(12-16-13-21-19-9-5-3-7-17(16)19)22-20-11-10-15-6-2-4-8-18(15)23-20/h2-11,13-14,21H,12H2,1H3,(H,22,23)/p+1/t14-/m1/s1
InChIKeyJROTXPVKVRQMGU-CQSZACIVSA-O
MW302.40 g/mol
LogP4.18
Rot. Bonds4

About N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-1-ium-2-amine

N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-1-ium-2-amine (PubChem CID 6926350) has the molecular formula C20H20N3+ and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-1-ium-2-amine.

Molecular Properties

Compound NameN-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-1-ium-2-amine
PubChem CID6926350
Molecular FormulaC20H20N3+
Molecular Weight302.40 g/mol
Exact Mass302.17
IUPAC NameN-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-1-ium-2-amine
SMILESC[C@H](Cc1c[nH]c2ccccc12)Nc1ccc2ccccc2[nH+]1
InChIInChI=1S/C20H19N3/c1-14(12-16-13-21-19-9-5-3-7-17(16)19)22-20-11-10-15-6-2-4-8-18(15)23-20/h2-11,13-14,21H,12H2,1H3,(H,22,23)/p+1/t14-/m1/s1
InChIKeyJROTXPVKVRQMGU-CQSZACIVSA-O
XLogP4.18
TPSA41.96 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-2-amine
CID 716012
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]cyclopropanamine
CID 95732551
N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
CID 3497526
(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175501585
3-(2-fluoropropyl)-1H-indole
CID 142409179
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
CID 162616789
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine
CID 138608964
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-1-ium-2-amine?
The IUPAC name of N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-1-ium-2-amine (CID 6926350) is N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-1-ium-2-amine.
What is the SMILES notation for N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-1-ium-2-amine?
The canonical SMILES for N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-1-ium-2-amine is C[C@H](Cc1c[nH]c2ccccc12)Nc1ccc2ccccc2[nH+]1.
What is the InChIKey of N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-1-ium-2-amine?
The InChIKey is JROTXPVKVRQMGU-CQSZACIVSA-O. The full InChI is InChI=1S/C20H19N3/c1-14(12-16-13-21-19-9-5-3-7-17(16)19)22-20-11-10-15-6-2-4-8-18(15)23-20/h2-11,13-14,21H,12H2,1H3,(H,22,23)/p+1/t14-/m1/s1.
What are the key properties of N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-1-ium-2-amine?
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-1-ium-2-amine has a molecular weight of 302.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]quinolin-1-ium-2-amine is sourced from PubChem (CID 6926350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).