8-[4-(4-nitrophenoxy)naphthalen-1-yl]-6-(4-nitrophenyl)-6H-1,7-naphthyridin-5-one

C30H18N4O6 — CID 141168207

IUPAC8-[4-(4-nitrophenoxy)naphthalen-1-yl]-6-(4-nitrophenyl)-6H-1,7-naphthyridin-5-one
SMILESO=C1c2cccnc2C(c2ccc(Oc3ccc([N+](=O)[O-])cc3)c3ccccc23)=NC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C30H18N4O6/c35-30-25-6-3-17-31-28(25)29(32-27(30)18-7-9-19(10-8-18)33(36)37)24-15-16-26(23-5-2-1-4-22(23)24)40-21-13-11-20(12-14-21)34(38)39/h1-17,27H
InChIKeyOTAFGFNGYBBKMC-UHFFFAOYSA-N
MW530.50 g/mol
LogP6.62
Rot. Bonds6

About 8-[4-(4-nitrophenoxy)naphthalen-1-yl]-6-(4-nitrophenyl)-6H-1,7-naphthyridin-5-one

8-[4-(4-nitrophenoxy)naphthalen-1-yl]-6-(4-nitrophenyl)-6H-1,7-naphthyridin-5-one (PubChem CID 141168207) has the molecular formula C30H18N4O6 and a molecular weight of 530.50 g/mol. Its IUPAC name is 8-[4-(4-nitrophenoxy)naphthalen-1-yl]-6-(4-nitrophenyl)-6H-1,7-naphthyridin-5-one.

Molecular Properties

Compound Name8-[4-(4-nitrophenoxy)naphthalen-1-yl]-6-(4-nitrophenyl)-6H-1,7-naphthyridin-5-one
PubChem CID141168207
Molecular FormulaC30H18N4O6
Molecular Weight530.50 g/mol
Exact Mass530.12
IUPAC Name8-[4-(4-nitrophenoxy)naphthalen-1-yl]-6-(4-nitrophenyl)-6H-1,7-naphthyridin-5-one
SMILESO=C1c2cccnc2C(c2ccc(Oc3ccc([N+](=O)[O-])cc3)c3ccccc23)=NC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C30H18N4O6/c35-30-25-6-3-17-31-28(25)29(32-27(30)18-7-9-19(10-8-18)33(36)37)24-15-16-26(23-5-2-1-4-22(23)24)40-21-13-11-20(12-14-21)34(38)39/h1-17,27H
InChIKeyOTAFGFNGYBBKMC-UHFFFAOYSA-N
XLogP6.62
TPSA137.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.50
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-(5-isoquinolyloxy)phenyl]-4-nitro-benzamide
CID 11440540
[3-Amino-2-(2-ethoxynaphthalen-1-yl)-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone
CID 24744493
[4-{3-[(2-Nitrobenzyl)Oxy]Phenyl}-8-(Trifluoromethyl)Quinolin-3-yl](Phenyl)-Methanone
CID 66913573
[4-[3-[(4-Nitrophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
CID 66914228
[4-{3-[(3-Nitrobenzyl)Oxy]Phenyl}-8-(Trifluoromethyl)Quinolin-3-yl](Phenyl)-Methanone
CID 66914428
2-[4-[3-[(2-Nitrophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde
CID 87202442
2-[4-[3-[(3-Nitrophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde
CID 87202450
2-[4-[3-[(4-Nitrophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde
CID 87202468
8-[4-[4-amino-2-(trifluoromethyl)phenoxy]naphthalen-1-yl]-6-[4-amino-2-(trifluoromethyl)phenyl]-6H-1,7-naphthyridin-5-one
CID 141168208
8-[4-[4-nitro-2-(trifluoromethyl)phenoxy]naphthalen-1-yl]-6-[4-nitro-2-(trifluoromethyl)phenyl]-6H-1,7-naphthyridin-5-one
CID 141255106
6-(5-Nitro-pyridin-2-yloxy)-2-phenyl-3,4-dihydro-2H-naphthalen-1-one
CID 17978639
3,4-dihydro-2,2-dimethyl-6-(4-nitrobenzoyl)-4-(2-pyridyl)-2H-1-benzopyran
CID 19895640

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-nitrophenoxy)naphthalen-1-yl]-6-(4-nitrophenyl)-6H-1,7-naphthyridin-5-one?
The IUPAC name of 8-[4-(4-nitrophenoxy)naphthalen-1-yl]-6-(4-nitrophenyl)-6H-1,7-naphthyridin-5-one (CID 141168207) is 8-[4-(4-nitrophenoxy)naphthalen-1-yl]-6-(4-nitrophenyl)-6H-1,7-naphthyridin-5-one.
What is the SMILES notation for 8-[4-(4-nitrophenoxy)naphthalen-1-yl]-6-(4-nitrophenyl)-6H-1,7-naphthyridin-5-one?
The canonical SMILES for 8-[4-(4-nitrophenoxy)naphthalen-1-yl]-6-(4-nitrophenyl)-6H-1,7-naphthyridin-5-one is O=C1c2cccnc2C(c2ccc(Oc3ccc([N+](=O)[O-])cc3)c3ccccc23)=NC1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 8-[4-(4-nitrophenoxy)naphthalen-1-yl]-6-(4-nitrophenyl)-6H-1,7-naphthyridin-5-one?
The InChIKey is OTAFGFNGYBBKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N4O6/c35-30-25-6-3-17-31-28(25)29(32-27(30)18-7-9-19(10-8-18)33(36)37)24-15-16-26(23-5-2-1-4-22(23)24)40-21-13-11-20(12-14-21)34(38)39/h1-17,27H.
What are the key properties of 8-[4-(4-nitrophenoxy)naphthalen-1-yl]-6-(4-nitrophenyl)-6H-1,7-naphthyridin-5-one?
8-[4-(4-nitrophenoxy)naphthalen-1-yl]-6-(4-nitrophenyl)-6H-1,7-naphthyridin-5-one has a molecular weight of 530.50 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-nitrophenoxy)naphthalen-1-yl]-6-(4-nitrophenyl)-6H-1,7-naphthyridin-5-one is sourced from PubChem (CID 141168207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).