5-imidazol-1-yl-5,6,7,8-tetrahydroquinoline

C12H13N3 — CID 10703161

IUPAC5-imidazol-1-yl-5,6,7,8-tetrahydroquinoline
SMILESc1cnc2c(c1)C(n1ccnc1)CCC2
InChIInChI=1S/C12H13N3/c1-4-11-10(3-2-6-14-11)12(5-1)15-8-7-13-9-15/h2-3,6-9,12H,1,4-5H2
InChIKeyQFNKKYLTOSVDJG-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.20
Rot. Bonds1

About 5-imidazol-1-yl-5,6,7,8-tetrahydroquinoline

5-imidazol-1-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 10703161) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 5-imidazol-1-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name5-imidazol-1-yl-5,6,7,8-tetrahydroquinoline
PubChem CID10703161
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name5-imidazol-1-yl-5,6,7,8-tetrahydroquinoline
SMILESc1cnc2c(c1)C(n1ccnc1)CCC2
InChIInChI=1S/C12H13N3/c1-4-11-10(3-2-6-14-11)12(5-1)15-8-7-13-9-15/h2-3,6-9,12H,1,4-5H2
InChIKeyQFNKKYLTOSVDJG-UHFFFAOYSA-N
XLogP2.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fadrozole
CID 59693
2-Amino-3-methylimidazo(4,5-f)quinoline
CID 53462
SB-220025
CID 5164
4-Phenylpyrimidine
CID 18923
PF-670462
CID 51049607
CR-4056
CID 24898732
3-(1H-imidazol-5-yl)pyridine
CID 3040177
Immethridine
CID 9989505
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 5-imidazol-1-yl-5,6,7,8-tetrahydroquinoline (CID 10703161) is 5-imidazol-1-yl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 5-imidazol-1-yl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 5-imidazol-1-yl-5,6,7,8-tetrahydroquinoline is c1cnc2c(c1)C(n1ccnc1)CCC2.
What is the InChIKey of 5-imidazol-1-yl-5,6,7,8-tetrahydroquinoline?
The InChIKey is QFNKKYLTOSVDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-4-11-10(3-2-6-14-11)12(5-1)15-8-7-13-9-15/h2-3,6-9,12H,1,4-5H2.
What are the key properties of 5-imidazol-1-yl-5,6,7,8-tetrahydroquinoline?
5-imidazol-1-yl-5,6,7,8-tetrahydroquinoline has a molecular weight of 199.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 10703161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).