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

C48H40N4O6 — CID 126694462

IUPAC3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc4c(=O)[nH]c(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4c(=O)[nH]3)cc2)cc1
InChIInChI=1S/C48H40N4O6/c1-55-39-21-13-35(14-22-39)51(36-15-23-40(56-2)24-16-36)33-9-5-31(6-10-33)45-29-43-44(47(53)49-45)30-46(50-48(43)54)32-7-11-34(12-8-32)52(37-17-25-41(57-3)26-18-37)38-19-27-42(58-4)28-20-38/h5-30H,1-4H3,(H,49,53)(H,50,54)
InChIKeyRVNITUHULNMGHP-UHFFFAOYSA-N
MW768.87 g/mol
LogP10.52
Rot. Bonds12

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

3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione (PubChem CID 126694462) has the molecular formula C48H40N4O6 and a molecular weight of 768.87 g/mol. Its IUPAC name is 3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione.

Molecular Properties

Compound Name3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
PubChem CID126694462
Molecular FormulaC48H40N4O6
Molecular Weight768.87 g/mol
Exact Mass768.29
IUPAC Name3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc4c(=O)[nH]c(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4c(=O)[nH]3)cc2)cc1
InChIInChI=1S/C48H40N4O6/c1-55-39-21-13-35(14-22-39)51(36-15-23-40(56-2)24-16-36)33-9-5-31(6-10-33)45-29-43-44(47(53)49-45)30-46(50-48(43)54)32-7-11-34(12-8-32)52(37-17-25-41(57-3)26-18-37)38-19-27-42(58-4)28-20-38/h5-30H,1-4H3,(H,49,53)(H,50,54)
InChIKeyRVNITUHULNMGHP-UHFFFAOYSA-N
XLogP10.52
TPSA109.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.87
LogP ≤ 510.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione?
The IUPAC name of 3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione (CID 126694462) is 3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione.
What is the SMILES notation for 3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione?
The canonical SMILES for 3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione is COc1ccc(N(c2ccc(OC)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 3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione?
The InChIKey is RVNITUHULNMGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N4O6/c1-55-39-21-13-35(14-22-39)51(36-15-23-40(56-2)24-16-36)33-9-5-31(6-10-33)45-29-43-44(47(53)49-45)30-46(50-48(43)54)32-7-11-34(12-8-32)52(37-17-25-41(57-3)26-18-37)38-19-27-42(58-4)28-20-38/h5-30H,1-4H3,(H,49,53)(H,50,54).
What are the key properties of 3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione?
3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione has a molecular weight of 768.87 g/mol, XLogP of 10.52, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione is sourced from PubChem (CID 126694462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).