N-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide

C52H39N7O7 — CID 172703911

IUPACN-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide
SMILESCOc1cc2c(=O)[nH]c3nccc(Nc4ccc(NC(=O)c5ccccc5)cc4)c3c2cc1OC.O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
InChIInChI=1S/C27H22N4O4.C25H17N3O3/c1-34-22-14-19-20(15-23(22)35-2)27(33)31-25-24(19)21(12-13-28-25)29-17-8-10-18(11-9-17)30-26(32)16-6-4-3-5-7-16;29-24(16-6-2-1-3-7-16)27-17-10-12-18(13-11-17)31-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(30)28-23/h3-15H,1-2H3,(H,30,32)(H2,28,29,31,33);1-15H,(H,27,29)(H,26,28,30)
InChIKeyDICUTPBYHFIEFV-UHFFFAOYSA-N
MW873.93 g/mol
LogP10.21
Rot. Bonds10

About N-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide

N-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide (PubChem CID 172703911) has the molecular formula C52H39N7O7 and a molecular weight of 873.93 g/mol. Its IUPAC name is N-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide
PubChem CID172703911
Molecular FormulaC52H39N7O7
Molecular Weight873.93 g/mol
Exact Mass873.29
IUPAC NameN-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide
SMILESCOc1cc2c(=O)[nH]c3nccc(Nc4ccc(NC(=O)c5ccccc5)cc4)c3c2cc1OC.O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
InChIInChI=1S/C27H22N4O4.C25H17N3O3/c1-34-22-14-19-20(15-23(22)35-2)27(33)31-25-24(19)21(12-13-28-25)29-17-8-10-18(11-9-17)30-26(32)16-6-4-3-5-7-16;29-24(16-6-2-1-3-7-16)27-17-10-12-18(13-11-17)31-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(30)28-23/h3-15H,1-2H3,(H,30,32)(H2,28,29,31,33);1-15H,(H,27,29)(H,26,28,30)
InChIKeyDICUTPBYHFIEFV-UHFFFAOYSA-N
XLogP10.21
TPSA189.42 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.93
LogP ≤ 510.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide with MolForge

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Related Compounds

methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate
CID 58168157
1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one
CID 58168082
1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one
CID 58168379
1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide
CID 58168022
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
CID 58564225
N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide
CID 90755546
1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide
CID 159227461
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide
CID 24966402
4-methoxy-3-phenoxy-N-phenylbenzamide
CID 18626251
3-hydroxy-4-methoxy-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 11244594

Frequently Asked Questions

What is the IUPAC name of N-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide?
The IUPAC name of N-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide (CID 172703911) is N-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide.
What is the SMILES notation for N-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide?
The canonical SMILES for N-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide is COc1cc2c(=O)[nH]c3nccc(Nc4ccc(NC(=O)c5ccccc5)cc4)c3c2cc1OC.O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide?
The InChIKey is DICUTPBYHFIEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O4.C25H17N3O3/c1-34-22-14-19-20(15-23(22)35-2)27(33)31-25-24(19)21(12-13-28-25)29-17-8-10-18(11-9-17)30-26(32)16-6-4-3-5-7-16;29-24(16-6-2-1-3-7-16)27-17-10-12-18(13-11-17)31-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(30)28-23/h3-15H,1-2H3,(H,30,32)(H2,28,29,31,33);1-15H,(H,27,29)(H,26,28,30).
What are the key properties of N-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide?
N-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide has a molecular weight of 873.93 g/mol, XLogP of 10.21, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide is sourced from PubChem (CID 172703911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).