3-phenyl-2-thiophen-2-yl-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine

C21H16N2S — CID 10871181

IUPAC3-phenyl-2-thiophen-2-yl-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine
SMILESc1ccc(-c2cc3c(nc2-c2cccs2)-c2cccn2CC3)cc1
InChIInChI=1S/C21H16N2S/c1-2-6-15(7-3-1)17-14-16-10-12-23-11-4-8-18(23)20(16)22-21(17)19-9-5-13-24-19/h1-9,11,13-14H,10,12H2
InChIKeyHVNAWZCJQGXZHO-UHFFFAOYSA-N
MW328.44 g/mol
LogP5.50
Rot. Bonds2

About 3-phenyl-2-thiophen-2-yl-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine

3-phenyl-2-thiophen-2-yl-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine (PubChem CID 10871181) has the molecular formula C21H16N2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-phenyl-2-thiophen-2-yl-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine.

Molecular Properties

Compound Name3-phenyl-2-thiophen-2-yl-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine
PubChem CID10871181
Molecular FormulaC21H16N2S
Molecular Weight328.44 g/mol
Exact Mass328.10
IUPAC Name3-phenyl-2-thiophen-2-yl-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine
SMILESc1ccc(-c2cc3c(nc2-c2cccs2)-c2cccn2CC3)cc1
InChIInChI=1S/C21H16N2S/c1-2-6-15(7-3-1)17-14-16-10-12-23-11-4-8-18(23)20(16)22-21(17)19-9-5-13-24-19/h1-9,11,13-14H,10,12H2
InChIKeyHVNAWZCJQGXZHO-UHFFFAOYSA-N
XLogP5.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.44
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one
CID 25158749
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CID 772852
4-phenyl-2-thiophen-2-ylquinoline
CID 8966250
2-(3,4-diphenylphenyl)thiophene
CID 150825396
4-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)morpholine
CID 15724124
2,3-diphenyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
CID 67270850
2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one
CID 173038182
3,4-diphenyl-2-thiophen-2-ylthiophene
CID 90930484
2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile
CID 14000355
5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035798
4-phenyl-1-pyridin-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline
CID 10796688
8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline
CID 141263688

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-thiophen-2-yl-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine?
The IUPAC name of 3-phenyl-2-thiophen-2-yl-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine (CID 10871181) is 3-phenyl-2-thiophen-2-yl-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine.
What is the SMILES notation for 3-phenyl-2-thiophen-2-yl-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine?
The canonical SMILES for 3-phenyl-2-thiophen-2-yl-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine is c1ccc(-c2cc3c(nc2-c2cccs2)-c2cccn2CC3)cc1.
What is the InChIKey of 3-phenyl-2-thiophen-2-yl-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine?
The InChIKey is HVNAWZCJQGXZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2S/c1-2-6-15(7-3-1)17-14-16-10-12-23-11-4-8-18(23)20(16)22-21(17)19-9-5-13-24-19/h1-9,11,13-14H,10,12H2.
What are the key properties of 3-phenyl-2-thiophen-2-yl-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine?
3-phenyl-2-thiophen-2-yl-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine has a molecular weight of 328.44 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-thiophen-2-yl-5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine is sourced from PubChem (CID 10871181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).