1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one

C18H30N2O2 — CID 82522193

IUPAC1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOCCCn1c2c(cc(CNCC(C)C)c1=O)CCCC2
InChIInChI=1S/C18H30N2O2/c1-14(2)12-19-13-16-11-15-7-4-5-8-17(15)20(18(16)21)9-6-10-22-3/h11,14,19H,4-10,12-13H2,1-3H3
InChIKeyLEIXCLRPKRJOGF-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.51
Rot. Bonds8

About 1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one

1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 82522193) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID82522193
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOCCCn1c2c(cc(CNCC(C)C)c1=O)CCCC2
InChIInChI=1S/C18H30N2O2/c1-14(2)12-19-13-16-11-15-7-4-5-8-17(15)20(18(16)21)9-6-10-22-3/h11,14,19H,4-10,12-13H2,1-3H3
InChIKeyLEIXCLRPKRJOGF-UHFFFAOYSA-N
XLogP2.51
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one with MolForge

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Related Compounds

3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522757
3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522286
3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522744
1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522314
1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one
CID 13169244
3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522751
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521754
1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522595
1-(2-methoxyethyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82524808
6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82523492
3-(chloromethyl)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522536
3-(aminomethyl)-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522932

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one (CID 82522193) is 1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one is COCCCn1c2c(cc(CNCC(C)C)c1=O)CCCC2.
What is the InChIKey of 1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is LEIXCLRPKRJOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-14(2)12-19-13-16-11-15-7-4-5-8-17(15)20(18(16)21)9-6-10-22-3/h11,14,19H,4-10,12-13H2,1-3H3.
What are the key properties of 1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one?
1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 306.45 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 82522193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).