2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide

C17H27N3O — CID 62097569

IUPAC2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C17H27N3O/c1-4-9-18-17(21)13(2)19-12-14-7-8-16-15(11-14)6-5-10-20(16)3/h7-8,11,13,19H,4-6,9-10,12H2,1-3H3,(H,18,21)
InChIKeyLUNCFOGKWDVUFT-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.07
Rot. Bonds6

About 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide

2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide (PubChem CID 62097569) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide
PubChem CID62097569
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C17H27N3O/c1-4-9-18-17(21)13(2)19-12-14-7-8-16-15(11-14)6-5-10-20(16)3/h7-8,11,13,19H,4-6,9-10,12H2,1-3H3,(H,18,21)
InChIKeyLUNCFOGKWDVUFT-UHFFFAOYSA-N
XLogP2.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide
CID 16837312
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propanamide
CID 16837096
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid
CID 62095154
(2R)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol
CID 113498869
(1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 81390953
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 110481403
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine
CID 63421316
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099820

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide (CID 62097569) is 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1ccc2c(c1)CCCN2C.
What is the InChIKey of 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide?
The InChIKey is LUNCFOGKWDVUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-9-18-17(21)13(2)19-12-14-7-8-16-15(11-14)6-5-10-20(16)3/h7-8,11,13,19H,4-6,9-10,12H2,1-3H3,(H,18,21).
What are the key properties of 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide?
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 62097569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).