3,4,6,7-tetrahydroquinoline

C9H11N — CID 91192800

IUPAC3,4,6,7-tetrahydroquinoline
SMILESC1=NC2=CCCC=C2CC1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h4,6-7H,1-3,5H2
InChIKeyCIIKECYJEOUJGQ-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.46
Rot. Bonds

About 3,4,6,7-tetrahydroquinoline

3,4,6,7-tetrahydroquinoline (PubChem CID 91192800) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 3,4,6,7-tetrahydroquinoline.

Molecular Properties

Compound Name3,4,6,7-tetrahydroquinoline
PubChem CID91192800
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name3,4,6,7-tetrahydroquinoline
SMILESC1=NC2=CCCC=C2CC1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h4,6-7H,1-3,5H2
InChIKeyCIIKECYJEOUJGQ-UHFFFAOYSA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydroquinoline
CID 94356
1,5-Dihydroisoquinoline
CID 91129745
3,4,5,6-Tetrahydroquinoline
CID 54214651
6h,7h-Quinoline
CID 67835501
Dihydrodibenzazepine
CID 87126010
8-Fluoro-3,4,7,8-tetrahydroquinolin-6-amine
CID 89209371
8-Fluoro-4-propyl-6,7-dihydroquinoline
CID 123389573
6-(3-Chloro-4-fluorocyclohexa-1,3-dien-1-yl)-5-methyl-3,4-dihydropyridine
CID 123581470
6-Cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine
CID 91482385
5h-Benzo(e)pyrido-(4,3)-indole
CID 129721092
4,5-Dihydroindenopyridine
CID 129783754
Indolo[4,5-e]indole
CID 129791560

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7-tetrahydroquinoline?
The IUPAC name of 3,4,6,7-tetrahydroquinoline (CID 91192800) is 3,4,6,7-tetrahydroquinoline.
What is the SMILES notation for 3,4,6,7-tetrahydroquinoline?
The canonical SMILES for 3,4,6,7-tetrahydroquinoline is C1=NC2=CCCC=C2CC1.
What is the InChIKey of 3,4,6,7-tetrahydroquinoline?
The InChIKey is CIIKECYJEOUJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h4,6-7H,1-3,5H2.
What are the key properties of 3,4,6,7-tetrahydroquinoline?
3,4,6,7-tetrahydroquinoline has a molecular weight of 133.19 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7-tetrahydroquinoline is sourced from PubChem (CID 91192800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).