2-(3-ethyl-5-methoxy-4-pyridin-4-ylphenyl)-1-methyl-6-nitroso-3,4-dihydro-1H-2,7-naphthyridine

C23H24N4O2 — CID 122681142

IUPAC2-(3-ethyl-5-methoxy-4-pyridin-4-ylphenyl)-1-methyl-6-nitroso-3,4-dihydro-1H-2,7-naphthyridine
SMILESCCc1cc(N2CCc3cc(N=O)ncc3C2C)cc(OC)c1-c1ccncc1
InChIInChI=1S/C23H24N4O2/c1-4-16-11-19(13-21(29-3)23(16)17-5-8-24-9-6-17)27-10-7-18-12-22(26-28)25-14-20(18)15(27)2/h5-6,8-9,11-15H,4,7,10H2,1-3H3
InChIKeyXCUIIRNSZSQWHQ-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.24
Rot. Bonds5

About 2-(3-ethyl-5-methoxy-4-pyridin-4-ylphenyl)-1-methyl-6-nitroso-3,4-dihydro-1H-2,7-naphthyridine

2-(3-ethyl-5-methoxy-4-pyridin-4-ylphenyl)-1-methyl-6-nitroso-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 122681142) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(3-ethyl-5-methoxy-4-pyridin-4-ylphenyl)-1-methyl-6-nitroso-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-(3-ethyl-5-methoxy-4-pyridin-4-ylphenyl)-1-methyl-6-nitroso-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID122681142
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(3-ethyl-5-methoxy-4-pyridin-4-ylphenyl)-1-methyl-6-nitroso-3,4-dihydro-1H-2,7-naphthyridine
SMILESCCc1cc(N2CCc3cc(N=O)ncc3C2C)cc(OC)c1-c1ccncc1
InChIInChI=1S/C23H24N4O2/c1-4-16-11-19(13-21(29-3)23(16)17-5-8-24-9-6-17)27-10-7-18-12-22(26-28)25-14-20(18)15(27)2/h5-6,8-9,11-15H,4,7,10H2,1-3H3
InChIKeyXCUIIRNSZSQWHQ-UHFFFAOYSA-N
XLogP5.24
TPSA67.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3,4-difluoro-5-methoxyphenyl)-8-methyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 139320932
(5R)-6-(3,4-difluoro-5-methoxyphenyl)-5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(5S)-6-(3,4-difluoro-5-methoxyphenyl)-5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 158354926
4-(2,6-dimethoxy-4-pentylphenyl)pyridine
CID 178159447
(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 110713100
6-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2H-1,2,4-triazine-3,5-dione
CID 3845070
(1S)-6,7-dimethoxy-1-methyl-2-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline
CID 23622170
6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669791
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 74245915
[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-2-ylmethanone
CID 8016137
1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine
CID 155969290
[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 166336141
1,2-diethylbenzene;2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 174576504

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-methoxy-4-pyridin-4-ylphenyl)-1-methyl-6-nitroso-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2-(3-ethyl-5-methoxy-4-pyridin-4-ylphenyl)-1-methyl-6-nitroso-3,4-dihydro-1H-2,7-naphthyridine (CID 122681142) is 2-(3-ethyl-5-methoxy-4-pyridin-4-ylphenyl)-1-methyl-6-nitroso-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-(3-ethyl-5-methoxy-4-pyridin-4-ylphenyl)-1-methyl-6-nitroso-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-(3-ethyl-5-methoxy-4-pyridin-4-ylphenyl)-1-methyl-6-nitroso-3,4-dihydro-1H-2,7-naphthyridine is CCc1cc(N2CCc3cc(N=O)ncc3C2C)cc(OC)c1-c1ccncc1.
What is the InChIKey of 2-(3-ethyl-5-methoxy-4-pyridin-4-ylphenyl)-1-methyl-6-nitroso-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is XCUIIRNSZSQWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-16-11-19(13-21(29-3)23(16)17-5-8-24-9-6-17)27-10-7-18-12-22(26-28)25-14-20(18)15(27)2/h5-6,8-9,11-15H,4,7,10H2,1-3H3.
What are the key properties of 2-(3-ethyl-5-methoxy-4-pyridin-4-ylphenyl)-1-methyl-6-nitroso-3,4-dihydro-1H-2,7-naphthyridine?
2-(3-ethyl-5-methoxy-4-pyridin-4-ylphenyl)-1-methyl-6-nitroso-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 388.47 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-methoxy-4-pyridin-4-ylphenyl)-1-methyl-6-nitroso-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 122681142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).