N-[3-(4-methoxyanilino)-1,4-dioxonaphthalen-2-yl]-N-(4-methoxyphenyl)formamide

C25H20N2O5 — CID 10071232

IUPACN-[3-(4-methoxyanilino)-1,4-dioxonaphthalen-2-yl]-N-(4-methoxyphenyl)formamide
SMILESCOc1ccc(NC2=C(N(C=O)c3ccc(OC)cc3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H20N2O5/c1-31-18-11-7-16(8-12-18)26-22-23(25(30)21-6-4-3-5-20(21)24(22)29)27(15-28)17-9-13-19(32-2)14-10-17/h3-15,26H,1-2H3
InChIKeyGVIGWTCQBHRMQI-UHFFFAOYSA-N
MW428.44 g/mol
LogP4.07
Rot. Bonds7

About N-[3-(4-methoxyanilino)-1,4-dioxonaphthalen-2-yl]-N-(4-methoxyphenyl)formamide

N-[3-(4-methoxyanilino)-1,4-dioxonaphthalen-2-yl]-N-(4-methoxyphenyl)formamide (PubChem CID 10071232) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is N-[3-(4-methoxyanilino)-1,4-dioxonaphthalen-2-yl]-N-(4-methoxyphenyl)formamide.

Molecular Properties

Compound NameN-[3-(4-methoxyanilino)-1,4-dioxonaphthalen-2-yl]-N-(4-methoxyphenyl)formamide
PubChem CID10071232
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC NameN-[3-(4-methoxyanilino)-1,4-dioxonaphthalen-2-yl]-N-(4-methoxyphenyl)formamide
SMILESCOc1ccc(NC2=C(N(C=O)c3ccc(OC)cc3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H20N2O5/c1-31-18-11-7-16(8-12-18)26-22-23(25(30)21-6-4-3-5-20(21)24(22)29)27(15-28)17-9-13-19(32-2)14-10-17/h3-15,26H,1-2H3
InChIKeyGVIGWTCQBHRMQI-UHFFFAOYSA-N
XLogP4.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-(4-methoxyanilino)naphthalene-1,4-dione
CID 4184980
2-(4-ethylpiperazin-1-yl)-3-(4-methoxyanilino)naphthalene-1,4-dione
CID 57339364
N-[4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl]-4-methoxybenzenesulfonamide
CID 138608771
2-(4-hydroxyphenyl)sulfinyl-3-(4-methoxyanilino)naphthalene-1,4-dione
CID 15958441
2-[2-[2-(4-methoxyanilino)phenyl]phenyl]-N-(4-methoxyphenyl)aniline
CID 90151027
1,8-bis(4-methoxyanilino)anthracene-9,10-dione
CID 22756934
12-(dimethylamino)-10-(4-methoxyanilino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
CID 134148693
2,3,5-trichloro-6-(4-methoxyanilino)cyclohexa-2,5-diene-1,4-dione
CID 12620326
6-chloro-7-(4-methoxyanilino)isoquinoline-5,8-dione
CID 10335823
anthracene-9,10-dione;ethane;4-methoxyphenol
CID 90695266
2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde
CID 57326285
N-[(4-methoxyphenyl)carbamoyl]-N-naphthalen-2-ylformamide
CID 173223898

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyanilino)-1,4-dioxonaphthalen-2-yl]-N-(4-methoxyphenyl)formamide?
The IUPAC name of N-[3-(4-methoxyanilino)-1,4-dioxonaphthalen-2-yl]-N-(4-methoxyphenyl)formamide (CID 10071232) is N-[3-(4-methoxyanilino)-1,4-dioxonaphthalen-2-yl]-N-(4-methoxyphenyl)formamide.
What is the SMILES notation for N-[3-(4-methoxyanilino)-1,4-dioxonaphthalen-2-yl]-N-(4-methoxyphenyl)formamide?
The canonical SMILES for N-[3-(4-methoxyanilino)-1,4-dioxonaphthalen-2-yl]-N-(4-methoxyphenyl)formamide is COc1ccc(NC2=C(N(C=O)c3ccc(OC)cc3)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[3-(4-methoxyanilino)-1,4-dioxonaphthalen-2-yl]-N-(4-methoxyphenyl)formamide?
The InChIKey is GVIGWTCQBHRMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c1-31-18-11-7-16(8-12-18)26-22-23(25(30)21-6-4-3-5-20(21)24(22)29)27(15-28)17-9-13-19(32-2)14-10-17/h3-15,26H,1-2H3.
What are the key properties of N-[3-(4-methoxyanilino)-1,4-dioxonaphthalen-2-yl]-N-(4-methoxyphenyl)formamide?
N-[3-(4-methoxyanilino)-1,4-dioxonaphthalen-2-yl]-N-(4-methoxyphenyl)formamide has a molecular weight of 428.44 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyanilino)-1,4-dioxonaphthalen-2-yl]-N-(4-methoxyphenyl)formamide is sourced from PubChem (CID 10071232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).