1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one

C16H23NO — CID 116554411

IUPAC1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
SMILESCCCCCCC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H23NO/c1-2-3-4-5-8-16(18)14-9-10-15-13(12-14)7-6-11-17-15/h9-10,12,17H,2-8,11H2,1H3
InChIKeyZUEMALOAGCFFQU-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.20
Rot. Bonds6

About 1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one

1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one (PubChem CID 116554411) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
PubChem CID116554411
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
SMILESCCCCCCC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H23NO/c1-2-3-4-5-8-16(18)14-9-10-15-13(12-14)7-6-11-17-15/h9-10,12,17H,2-8,11H2,1H3
InChIKeyZUEMALOAGCFFQU-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82256325
3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82050719
1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
butyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CID 43267445
3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 93191629
1,2,3,4-tetrahydroquinolin-6-yl hexanoate
CID 23036154
2-(propan-2-ylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257733
1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone
CID 82102357
3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 103023537
2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82256335

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one?
The IUPAC name of 1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one (CID 116554411) is 1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one.
What is the SMILES notation for 1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one?
The canonical SMILES for 1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one is CCCCCCC(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of 1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one?
The InChIKey is ZUEMALOAGCFFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-3-4-5-8-16(18)14-9-10-15-13(12-14)7-6-11-17-15/h9-10,12,17H,2-8,11H2,1H3.
What are the key properties of 1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one?
1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one has a molecular weight of 245.37 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one is sourced from PubChem (CID 116554411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).