7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C25H28N4O — CID 166895330

IUPAC7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCc1ccc2ncc(/C=C/C(CCCCc3ccc4c(n3)NCCC4)N=O)cc2c1
InChIInChI=1S/C25H28N4O/c1-18-8-13-24-21(15-18)16-19(17-27-24)9-11-23(29-30)7-3-2-6-22-12-10-20-5-4-14-26-25(20)28-22/h8-13,15-17,23H,2-7,14H2,1H3,(H,26,28)/b11-9+
InChIKeyIQJBHDKSAYLQDK-PKNBQFBNSA-N
MW400.53 g/mol
LogP5.86
Rot. Bonds8

About 7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 166895330) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID166895330
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCc1ccc2ncc(/C=C/C(CCCCc3ccc4c(n3)NCCC4)N=O)cc2c1
InChIInChI=1S/C25H28N4O/c1-18-8-13-24-21(15-18)16-19(17-27-24)9-11-23(29-30)7-3-2-6-22-12-10-20-5-4-14-26-25(20)28-22/h8-13,15-17,23H,2-7,14H2,1H3,(H,26,28)/b11-9+
InChIKeyIQJBHDKSAYLQDK-PKNBQFBNSA-N
XLogP5.86
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine with MolForge

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Related Compounds

1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol
CID 54062705
CID 157215227
CID 157215227
(E,3R)-1-(2-propan-2-ylpyrimidin-5-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol
CID 11485411
1-(7-fluoroquinolin-3-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one
CID 123151596
7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]hept-1-en-3-ol
CID 123531103
2-[[2-(4-methylphenyl)acetyl]amino]-4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]butanoic acid
CID 146661178
7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 142134028
ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate
CID 69396751
ethyl 3-quinolin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate
CID 54463792
7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 170052630
N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide
CID 20691582
3-hydroxy-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 90338346

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 166895330) is 7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is Cc1ccc2ncc(/C=C/C(CCCCc3ccc4c(n3)NCCC4)N=O)cc2c1.
What is the InChIKey of 7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is IQJBHDKSAYLQDK-PKNBQFBNSA-N. The full InChI is InChI=1S/C25H28N4O/c1-18-8-13-24-21(15-18)16-19(17-27-24)9-11-23(29-30)7-3-2-6-22-12-10-20-5-4-14-26-25(20)28-22/h8-13,15-17,23H,2-7,14H2,1H3,(H,26,28)/b11-9+.
What are the key properties of 7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 400.53 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 166895330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).