3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide

C35H30N2O6 — CID 142154541

IUPAC3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3c4c(cccc24)-c2ccc(C(=O)NCc4cccc(O)c4OC)cc2-3)c1OC
InChIInChI=1S/C35H30N2O6/c1-41-30-12-5-8-22(33(30)43-3)19-37-35(40)27-16-15-26-28-17-20(13-14-23(28)24-9-6-10-25(27)31(24)26)34(39)36-18-21-7-4-11-29(38)32(21)42-2/h4-17,38H,18-19H2,1-3H3,(H,36,39)(H,37,40)
InChIKeyGXLSQKGRCIYWJZ-UHFFFAOYSA-N
MW574.63 g/mol
LogP6.08
Rot. Bonds9

About 3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide

3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide (PubChem CID 142154541) has the molecular formula C35H30N2O6 and a molecular weight of 574.63 g/mol. Its IUPAC name is 3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide
PubChem CID142154541
Molecular FormulaC35H30N2O6
Molecular Weight574.63 g/mol
Exact Mass574.21
IUPAC Name3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3c4c(cccc24)-c2ccc(C(=O)NCc4cccc(O)c4OC)cc2-3)c1OC
InChIInChI=1S/C35H30N2O6/c1-41-30-12-5-8-22(33(30)43-3)19-37-35(40)27-16-15-26-28-17-20(13-14-23(28)24-9-6-10-25(27)31(24)26)34(39)36-18-21-7-4-11-29(38)32(21)42-2/h4-17,38H,18-19H2,1-3H3,(H,36,39)(H,37,40)
InChIKeyGXLSQKGRCIYWJZ-UHFFFAOYSA-N
XLogP6.08
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.63
LogP ≤ 56.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide with MolForge

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide
CID 78851822
N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide
CID 22588087
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55583363
3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide
CID 46410283
N-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 46586806
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 55595810
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 46590512
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 103830352

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide?
The IUPAC name of 3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide (CID 142154541) is 3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide.
What is the SMILES notation for 3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide?
The canonical SMILES for 3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide is COc1cccc(CNC(=O)c2ccc3c4c(cccc24)-c2ccc(C(=O)NCc4cccc(O)c4OC)cc2-3)c1OC.
What is the InChIKey of 3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide?
The InChIKey is GXLSQKGRCIYWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N2O6/c1-41-30-12-5-8-22(33(30)43-3)19-37-35(40)27-16-15-26-28-17-20(13-14-23(28)24-9-6-10-25(27)31(24)26)34(39)36-18-21-7-4-11-29(38)32(21)42-2/h4-17,38H,18-19H2,1-3H3,(H,36,39)(H,37,40).
What are the key properties of 3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide?
3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide has a molecular weight of 574.63 g/mol, XLogP of 6.08, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2,3-dimethoxyphenyl)methyl]-9-N-[(3-hydroxy-2-methoxyphenyl)methyl]fluoranthene-3,9-dicarboxamide is sourced from PubChem (CID 142154541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).