1H-indol-6-amine;2H-quinoline-1-carboxylic acid

C18H17N3O2 — CID 161102852

IUPAC1H-indol-6-amine;2H-quinoline-1-carboxylic acid
SMILESNc1ccc2cc[nH]c2c1.O=C(O)N1CC=Cc2ccccc21
InChIInChI=1S/C10H9NO2.C8H8N2/c12-10(13)11-7-3-5-8-4-1-2-6-9(8)11;9-7-2-1-6-3-4-10-8(6)5-7/h1-6H,7H2,(H,12,13);1-5,10H,9H2
InChIKeyUIQSIAVVFZAZNG-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.95
Rot. Bonds

About 1H-indol-6-amine;2H-quinoline-1-carboxylic acid

1H-indol-6-amine;2H-quinoline-1-carboxylic acid (PubChem CID 161102852) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1H-indol-6-amine;2H-quinoline-1-carboxylic acid.

Molecular Properties

Compound Name1H-indol-6-amine;2H-quinoline-1-carboxylic acid
PubChem CID161102852
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1H-indol-6-amine;2H-quinoline-1-carboxylic acid
SMILESNc1ccc2cc[nH]c2c1.O=C(O)N1CC=Cc2ccccc21
InChIInChI=1S/C10H9NO2.C8H8N2/c12-10(13)11-7-3-5-8-4-1-2-6-9(8)11;9-7-2-1-6-3-4-10-8(6)5-7/h1-6H,7H2,(H,12,13);1-5,10H,9H2
InChIKeyUIQSIAVVFZAZNG-UHFFFAOYSA-N
XLogP3.95
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-indole;2H-quinoline-1-carboxylic acid
CID 174897265
2-ethoxyethyl 2H-quinoline-1-carboxylate
CID 18677055
carbamic acid;1H-indole
CID 66672708
ethane;1H-indole-6-carboxylic acid
CID 142472960
4-(1H-indol-6-yl)piperazine-1-carboxylic acid
CID 66955061
(5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone
CID 112527634
1-methyl-2H-quinolin-6-amine
CID 142426312
acetic acid;bis(1H-indole)
CID 162014067
2H-quinolin-1-amine;dihydrochloride
CID 141446111
2-amino-5-(1H-indol-6-yl)-1H-pyrrole-3-carboxamide
CID 67175667
2-aminoacetic acid;1H-indole
CID 118109552
5-amino-1H-indole-6-carboxylic acid
CID 117273186

Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-amine;2H-quinoline-1-carboxylic acid?
The IUPAC name of 1H-indol-6-amine;2H-quinoline-1-carboxylic acid (CID 161102852) is 1H-indol-6-amine;2H-quinoline-1-carboxylic acid.
What is the SMILES notation for 1H-indol-6-amine;2H-quinoline-1-carboxylic acid?
The canonical SMILES for 1H-indol-6-amine;2H-quinoline-1-carboxylic acid is Nc1ccc2cc[nH]c2c1.O=C(O)N1CC=Cc2ccccc21.
What is the InChIKey of 1H-indol-6-amine;2H-quinoline-1-carboxylic acid?
The InChIKey is UIQSIAVVFZAZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.C8H8N2/c12-10(13)11-7-3-5-8-4-1-2-6-9(8)11;9-7-2-1-6-3-4-10-8(6)5-7/h1-6H,7H2,(H,12,13);1-5,10H,9H2.
What are the key properties of 1H-indol-6-amine;2H-quinoline-1-carboxylic acid?
1H-indol-6-amine;2H-quinoline-1-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 3.95, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-amine;2H-quinoline-1-carboxylic acid is sourced from PubChem (CID 161102852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).