1H-imidazole;quinolin-6-amine

C12H12N4 — CID 174504983

IUPAC1H-imidazole;quinolin-6-amine
SMILESNc1ccc2ncccc2c1.c1c[nH]cn1
InChIInChI=1S/C9H8N2.C3H4N2/c10-8-3-4-9-7(6-8)2-1-5-11-9;1-2-5-3-4-1/h1-6H,10H2;1-3H,(H,4,5)
InChIKeyOFAGNIRTOUKENC-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.23
Rot. Bonds

About 1H-imidazole;quinolin-6-amine

1H-imidazole;quinolin-6-amine (PubChem CID 174504983) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1H-imidazole;quinolin-6-amine.

Molecular Properties

Compound Name1H-imidazole;quinolin-6-amine
PubChem CID174504983
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name1H-imidazole;quinolin-6-amine
SMILESNc1ccc2ncccc2c1.c1c[nH]cn1
InChIInChI=1S/C9H8N2.C3H4N2/c10-8-3-4-9-7(6-8)2-1-5-11-9;1-2-5-3-4-1/h1-6H,10H2;1-3H,(H,4,5)
InChIKeyOFAGNIRTOUKENC-UHFFFAOYSA-N
XLogP2.23
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(1H-imidazole);quinoline
CID 174662508
boric acid;bis(1H-imidazole);quinoline
CID 174795094
4-methyl-3-quinolin-6-ylaniline
CID 81224667
1H-imidazole;2-pyridin-2-yl-1H-indole
CID 174625400
(3-aminophenyl)-quinolin-6-ylmethanol
CID 106695803
2-aminopentanoic acid;quinolin-6-amine
CID 174833592
bis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid
CID 175204146
3-chloro-4-quinolin-6-yloxyaniline
CID 13490789
benzene;ethane;furan;1H-imidazole;pyridine;quinoline;thiophene
CID 158376258
4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline
CID 43458332
CID 87967042
CID 87967042
6-methylquinoline
CID 7059

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;quinolin-6-amine?
The IUPAC name of 1H-imidazole;quinolin-6-amine (CID 174504983) is 1H-imidazole;quinolin-6-amine.
What is the SMILES notation for 1H-imidazole;quinolin-6-amine?
The canonical SMILES for 1H-imidazole;quinolin-6-amine is Nc1ccc2ncccc2c1.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;quinolin-6-amine?
The InChIKey is OFAGNIRTOUKENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C3H4N2/c10-8-3-4-9-7(6-8)2-1-5-11-9;1-2-5-3-4-1/h1-6H,10H2;1-3H,(H,4,5).
What are the key properties of 1H-imidazole;quinolin-6-amine?
1H-imidazole;quinolin-6-amine has a molecular weight of 212.26 g/mol, XLogP of 2.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;quinolin-6-amine is sourced from PubChem (CID 174504983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).