2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one

C21H24N2OS — CID 143113464

IUPAC2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one
SMILESCCCC(CC)Sc1cc(=O)c2cnc(C)cc2n1-c1ccccc1
InChIInChI=1S/C21H24N2OS/c1-4-9-17(5-2)25-21-13-20(24)18-14-22-15(3)12-19(18)23(21)16-10-7-6-8-11-16/h6-8,10-14,17H,4-5,9H2,1-3H3
InChIKeyBNPOYQYRCSHWNX-UHFFFAOYSA-N
MW352.50 g/mol
LogP5.36
Rot. Bonds6

About 2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one

2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 143113464) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one
PubChem CID143113464
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one
SMILESCCCC(CC)Sc1cc(=O)c2cnc(C)cc2n1-c1ccccc1
InChIInChI=1S/C21H24N2OS/c1-4-9-17(5-2)25-21-13-20(24)18-14-22-15(3)12-19(18)23(21)16-10-7-6-8-11-16/h6-8,10-14,17H,4-5,9H2,1-3H3
InChIKeyBNPOYQYRCSHWNX-UHFFFAOYSA-N
XLogP5.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide
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2-cyclopentyloxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one
CID 20790938
N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide
CID 20791220
2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one
CID 58694544
2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one
CID 142225721
2-benzyl-1-phenyl-7-pyrrolidin-1-yl-1,6-naphthyridin-4-one
CID 58694548
2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one
CID 20790733
2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide
CID 10155193
(5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one
CID 88898974
2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one
CID 20790696
2-ethyl-3-phenylquinazolin-4-one
CID 719985
ethyl (2R)-2-(6-iodo-4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoate
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Frequently Asked Questions

What is the IUPAC name of 2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one?
The IUPAC name of 2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one (CID 143113464) is 2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one?
The canonical SMILES for 2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one is CCCC(CC)Sc1cc(=O)c2cnc(C)cc2n1-c1ccccc1.
What is the InChIKey of 2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one?
The InChIKey is BNPOYQYRCSHWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-4-9-17(5-2)25-21-13-20(24)18-14-22-15(3)12-19(18)23(21)16-10-7-6-8-11-16/h6-8,10-14,17H,4-5,9H2,1-3H3.
What are the key properties of 2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one?
2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one has a molecular weight of 352.50 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 143113464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).