[4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H19N3O — CID 81235104

IUPAC[4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCNc1ccncc1C(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C17H19N3O/c1-12-9-13-5-3-4-6-16(13)20(11-12)17(21)14-10-19-8-7-15(14)18-2/h3-8,10,12H,9,11H2,1-2H3,(H,18,19)
InChIKeyKLRMZNOKNROPFJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.96
Rot. Bonds2

About [4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 81235104) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID81235104
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCNc1ccncc1C(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C17H19N3O/c1-12-9-13-5-3-4-6-16(13)20(11-12)17(21)14-10-19-8-7-15(14)18-2/h3-8,10,12H,9,11H2,1-2H3,(H,18,19)
InChIKeyKLRMZNOKNROPFJ-UHFFFAOYSA-N
XLogP2.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
(2-hydrazinyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63483138
[4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 81234844
(2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 114918498
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-pyridin-3-yloxyphenyl)methanone
CID 71933279
3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone
CID 105068094
(2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63499391
(2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115540697
[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
CID 95598699
2-methyl-2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55195653
(2-amino-5-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107075293
1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 95326480

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 81235104) is [4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CNc1ccncc1C(=O)N1CC(C)Cc2ccccc21.
What is the InChIKey of [4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is KLRMZNOKNROPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-9-13-5-3-4-6-16(13)20(11-12)17(21)14-10-19-8-7-15(14)18-2/h3-8,10,12H,9,11H2,1-2H3,(H,18,19).
What are the key properties of [4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 81235104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).