N-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine

C17H16N4O3 — CID 19258582

IUPACN-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc3nc(C)ccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16N4O3/c1-10-4-6-13-15(8-11(2)19-17(13)18-10)20-14-7-5-12(24-3)9-16(14)21(22)23/h4-9H,1-3H3,(H,18,19,20)
InChIKeyFWEUNVLJCAFUCQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.91
Rot. Bonds4

About N-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine

N-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine (PubChem CID 19258582) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine
PubChem CID19258582
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc3nc(C)ccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16N4O3/c1-10-4-6-13-15(8-11(2)19-17(13)18-10)20-14-7-5-12(24-3)9-16(14)21(22)23/h4-9H,1-3H3,(H,18,19,20)
InChIKeyFWEUNVLJCAFUCQ-UHFFFAOYSA-N
XLogP3.91
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxy-2-nitrophenyl)pyridin-4-amine
CID 121011704
4-methoxy-2-nitro-N-(4-nitrophenyl)aniline
CID 86676152
2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine
CID 19258585
N-(4-methoxy-2-methylphenyl)-3-nitropyridin-4-amine
CID 161454492
N-(4-methoxy-2-methylphenyl)-3-nitropyridin-4-amine
CID 90117018
4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide
CID 2843218
1-N-(4-methoxy-2-nitrophenyl)-2-methylpropane-1,2-diamine
CID 78954867
4-(4-methoxyphenyl)-2-nitro-N-phenylaniline
CID 54070021
N-(4-methoxy-2-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
CID 3280820
4-(4-methoxyanilino)-3-nitrobenzonitrile
CID 2988965
4-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-2-nitroaniline
CID 104624092
2-(2,4-dinitroanilino)-4-methoxyphenol
CID 86702715

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine (CID 19258582) is N-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine is COc1ccc(Nc2cc(C)nc3nc(C)ccc23)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine?
The InChIKey is FWEUNVLJCAFUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10-4-6-13-15(8-11(2)19-17(13)18-10)20-14-7-5-12(24-3)9-16(14)21(22)23/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine?
N-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine has a molecular weight of 324.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine is sourced from PubChem (CID 19258582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).