1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone

C17H15N3OS — CID 24732768

IUPAC1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCc2nc3ccncc3cc2C1
InChIInChI=1S/C17H15N3OS/c21-17(9-14-2-1-7-22-14)20-6-4-16-13(11-20)8-12-10-18-5-3-15(12)19-16/h1-3,5,7-8,10H,4,6,9,11H2
InChIKeyOWBBFGJGGGQELN-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.82
Rot. Bonds2

About 1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone

1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone (PubChem CID 24732768) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone
PubChem CID24732768
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCc2nc3ccncc3cc2C1
InChIInChI=1S/C17H15N3OS/c21-17(9-14-2-1-7-22-14)20-6-4-16-13(11-20)8-12-10-18-5-3-15(12)19-16/h1-3,5,7-8,10H,4,6,9,11H2
InChIKeyOWBBFGJGGGQELN-UHFFFAOYSA-N
XLogP2.82
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone with MolForge

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Related Compounds

1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone
CID 56778204
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
CID 53194578
2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
CID 4245605
1-(3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)-2-thiophen-2-ylethanone
CID 53140270
1-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 53087851
1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone
CID 24703567
1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155847947
5-fluoro-2-(2-thiophen-2-ylacetyl)-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
CID 154744766
1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 110798609
4-(2-thiophen-2-ylacetyl)-1,4-diazepan-2-one
CID 62897971
1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-thiophen-2-ylethanone
CID 42786475

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone (CID 24732768) is 1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCc2nc3ccncc3cc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone?
The InChIKey is OWBBFGJGGGQELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-17(9-14-2-1-7-22-14)20-6-4-16-13(11-20)8-12-10-18-5-3-15(12)19-16/h1-3,5,7-8,10H,4,6,9,11H2.
What are the key properties of 1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone?
1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone has a molecular weight of 309.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 24732768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).