3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one

C17H22N2O — CID 116576913

IUPAC3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one
SMILESCC(C)CC(CN)CC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C17H22N2O/c1-12(2)8-13(11-18)9-17(20)15-5-6-16-14(10-15)4-3-7-19-16/h3-7,10,12-13H,8-9,11,18H2,1-2H3
InChIKeyDLALIMVUPHIFPH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.43
Rot. Bonds6

About 3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one

3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one (PubChem CID 116576913) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one
PubChem CID116576913
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one
SMILESCC(C)CC(CN)CC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C17H22N2O/c1-12(2)8-13(11-18)9-17(20)15-5-6-16-14(10-15)4-3-7-19-16/h3-7,10,12-13H,8-9,11,18H2,1-2H3
InChIKeyDLALIMVUPHIFPH-UHFFFAOYSA-N
XLogP3.43
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate
CID 63968055
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
2-(propan-2-ylamino)-1-quinolin-6-ylethanone
CID 116554909
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
CID 68954177
5-amino-1-quinolin-6-ylpentan-1-one
CID 116572003
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481
2-tert-butylsulfanyl-1-quinolin-6-ylethanone
CID 81219969
ethane;quinoline-6-carboxylic acid
CID 91364452
2-(4-methylphenyl)-1-quinolin-6-ylethanone
CID 63096314
propyl 4-oxo-4-quinolin-6-ylbutanoate
CID 63968471
(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
CID 14310136

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one?
The IUPAC name of 3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one (CID 116576913) is 3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one?
The canonical SMILES for 3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one is CC(C)CC(CN)CC(=O)c1ccc2ncccc2c1.
What is the InChIKey of 3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one?
The InChIKey is DLALIMVUPHIFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)8-13(11-18)9-17(20)15-5-6-16-14(10-15)4-3-7-19-16/h3-7,10,12-13H,8-9,11,18H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one?
3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one has a molecular weight of 270.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one is sourced from PubChem (CID 116576913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).