4,6,7,8-tetrahydroquinoline

C9H11N — CID 54001033

IUPAC4,6,7,8-tetrahydroquinoline
SMILESC1=CN=C2CCCC=C2C1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3-4,7H,1-2,5-6H2
InChIKeyKLQAPGMPEIRQAK-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.46
Rot. Bonds

About 4,6,7,8-tetrahydroquinoline

4,6,7,8-tetrahydroquinoline (PubChem CID 54001033) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 4,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4,6,7,8-tetrahydroquinoline
PubChem CID54001033
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name4,6,7,8-tetrahydroquinoline
SMILESC1=CN=C2CCCC=C2C1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3-4,7H,1-2,5-6H2
InChIKeyKLQAPGMPEIRQAK-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

2,3,5,6,7,8-Hexahydroquinoline
CID 53628232
10,11-Dihydro-dibenzazepine
CID 126697729
4,6-Dihydroquinoline
CID 129722681
Azabicyclodecadiene
CID 129783485
Indolo[7,6-g]indole
CID 129789230
4h-Cyclopentaquinoline
CID 129795792
2,3,4,6,7,8-Hexahydroquinoline
CID 10986285
2,3,4,6-Tetrahydroquinoline
CID 20558379
2,3,5,8-Tetrahydroquinoline
CID 57204244
3-Methyl-2,3,5,8-tetrahydroquinoline
CID 57323267
1-methyl-5H-isoquinolin-5-ide;yttrium
CID 59098083
2,3,7,8-Tetrahydroquinoline
CID 68102517

Frequently Asked Questions

What is the IUPAC name of 4,6,7,8-tetrahydroquinoline?
The IUPAC name of 4,6,7,8-tetrahydroquinoline (CID 54001033) is 4,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4,6,7,8-tetrahydroquinoline is C1=CN=C2CCCC=C2C1.
What is the InChIKey of 4,6,7,8-tetrahydroquinoline?
The InChIKey is KLQAPGMPEIRQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3-4,7H,1-2,5-6H2.
What are the key properties of 4,6,7,8-tetrahydroquinoline?
4,6,7,8-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 4,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 54001033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).