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

C16H17N3O — CID 105068094

IUPAC3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cnccc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H17N3O/c1-17-14-11-18-9-8-13(14)16(20)19-10-4-6-12-5-2-3-7-15(12)19/h2-3,5,7-9,11,17H,4,6,10H2,1H3
InChIKeyGRJBRKSRJRSPRR-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.72
Rot. Bonds2

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

3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone (PubChem CID 105068094) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone
PubChem CID105068094
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cnccc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H17N3O/c1-17-14-11-18-9-8-13(14)16(20)19-10-4-6-12-5-2-3-7-15(12)19/h2-3,5,7-9,11,17H,4,6,10H2,1H3
InChIKeyGRJBRKSRJRSPRR-UHFFFAOYSA-N
XLogP2.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81226103
(6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 103502155
(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 66462242
3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374099
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
[4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 81234844
(5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 117213473
[4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81235104
3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80619414
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 110857161

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone (CID 105068094) is 3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone is CNc1cnccc1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone?
The InChIKey is GRJBRKSRJRSPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-17-14-11-18-9-8-13(14)16(20)19-10-4-6-12-5-2-3-7-15(12)19/h2-3,5,7-9,11,17H,4,6,10H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone has a molecular weight of 267.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 105068094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).