3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione

C48H40N4O5 — CID 126682549

IUPAC3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(=O)[nH]c(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4c(=O)[nH]3)cc2)cc1
InChIInChI=1S/C48H40N4O5/c1-31-5-11-34(12-6-31)51(37-17-23-40(55-2)24-18-37)35-13-7-32(8-14-35)45-29-43-44(47(53)49-45)30-46(50-48(43)54)33-9-15-36(16-10-33)52(38-19-25-41(56-3)26-20-38)39-21-27-42(57-4)28-22-39/h5-30H,1-4H3,(H,49,53)(H,50,54)
InChIKeyLHELMAVATDBQOX-UHFFFAOYSA-N
MW752.87 g/mol
LogP10.82
Rot. Bonds11

About 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione

3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione (PubChem CID 126682549) has the molecular formula C48H40N4O5 and a molecular weight of 752.87 g/mol. Its IUPAC name is 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione.

Molecular Properties

Compound Name3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
PubChem CID126682549
Molecular FormulaC48H40N4O5
Molecular Weight752.87 g/mol
Exact Mass752.30
IUPAC Name3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(=O)[nH]c(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4c(=O)[nH]3)cc2)cc1
InChIInChI=1S/C48H40N4O5/c1-31-5-11-34(12-6-31)51(37-17-23-40(55-2)24-18-37)35-13-7-32(8-14-35)45-29-43-44(47(53)49-45)30-46(50-48(43)54)33-9-15-36(16-10-33)52(38-19-25-41(56-3)26-20-38)39-21-27-42(57-4)28-22-39/h5-30H,1-4H3,(H,49,53)(H,50,54)
InChIKeyLHELMAVATDBQOX-UHFFFAOYSA-N
XLogP10.82
TPSA99.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.87
LogP ≤ 510.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione with MolForge

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Related Compounds

3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
CID 126694462
3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]pyrano[4,3-c]pyran-1,5-dione;3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-6H-pyrano[4,3-c]pyridine-1,5-dione
CID 158864633
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione
CID 71242608
4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 2825970
5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine
CID 139606545
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
3-amino-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82098987
N-(4-methoxyphenyl)-N-[4-[2-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]ethynyl]phenyl]-4-methylaniline
CID 18996688
N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 161292893
9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine
CID 58855173
ethane;6-methoxy-3-(4-propan-2-yloxyphenyl)-2H-isoquinolin-1-one
CID 144609811

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione?
The IUPAC name of 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione (CID 126682549) is 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione.
What is the SMILES notation for 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione?
The canonical SMILES for 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione is COc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc4c(=O)[nH]c(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4c(=O)[nH]3)cc2)cc1.
What is the InChIKey of 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione?
The InChIKey is LHELMAVATDBQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N4O5/c1-31-5-11-34(12-6-31)51(37-17-23-40(55-2)24-18-37)35-13-7-32(8-14-35)45-29-43-44(47(53)49-45)30-46(50-48(43)54)33-9-15-36(16-10-33)52(38-19-25-41(56-3)26-20-38)39-21-27-42(57-4)28-22-39/h5-30H,1-4H3,(H,49,53)(H,50,54).
What are the key properties of 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione?
3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione has a molecular weight of 752.87 g/mol, XLogP of 10.82, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione is sourced from PubChem (CID 126682549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).