1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one

C18H30N2O — CID 82522314

IUPAC1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCCCn1c2c(cc(CNCCC)c1=O)CCCC2
InChIInChI=1S/C18H30N2O/c1-3-5-8-12-20-17-10-7-6-9-15(17)13-16(18(20)21)14-19-11-4-2/h13,19H,3-12,14H2,1-2H3
InChIKeyXPKCATKOIINHKP-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.42
Rot. Bonds8

About 1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one

1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 82522314) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID82522314
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCCCn1c2c(cc(CNCCC)c1=O)CCCC2
InChIInChI=1S/C18H30N2O/c1-3-5-8-12-20-17-10-7-6-9-15(17)13-16(18(20)21)14-19-11-4-2/h13,19H,3-12,14H2,1-2H3
InChIKeyXPKCATKOIINHKP-UHFFFAOYSA-N
XLogP3.42
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522595
1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523355
1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one
CID 13169244
3-(aminomethyl)-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522932
3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522286
3-(1-butyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride
CID 82522396
2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde
CID 82522950
1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522193
3-(chloromethyl)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522536
1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbaldehyde
CID 89153702
2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 82522939
1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525151

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 82522314) is 1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one is CCCCCn1c2c(cc(CNCCC)c1=O)CCCC2.
What is the InChIKey of 1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is XPKCATKOIINHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-5-8-12-20-17-10-7-6-9-15(17)13-16(18(20)21)14-19-11-4-2/h13,19H,3-12,14H2,1-2H3.
What are the key properties of 1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one?
1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 290.45 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 82522314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).