methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate

C27H20N4O4 — CID 58168157

IUPACmethyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate
SMILESCOC(=O)c1ccc2c(=O)[nH]c3nccc(Nc4ccc(NC(=O)c5ccccc5)cc4)c3c2c1
InChIInChI=1S/C27H20N4O4/c1-35-27(34)17-7-12-20-21(15-17)23-22(13-14-28-24(23)31-26(20)33)29-18-8-10-19(11-9-18)30-25(32)16-5-3-2-4-6-16/h2-15H,1H3,(H,30,32)(H2,28,29,31,33)
InChIKeyVBMSTYSKTPYUGR-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.86
Rot. Bonds5

About methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate

methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate (PubChem CID 58168157) has the molecular formula C27H20N4O4 and a molecular weight of 464.48 g/mol. Its IUPAC name is methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate
PubChem CID58168157
Molecular FormulaC27H20N4O4
Molecular Weight464.48 g/mol
Exact Mass464.15
IUPAC Namemethyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate
SMILESCOC(=O)c1ccc2c(=O)[nH]c3nccc(Nc4ccc(NC(=O)c5ccccc5)cc4)c3c2c1
InChIInChI=1S/C27H20N4O4/c1-35-27(34)17-7-12-20-21(15-17)23-22(13-14-28-24(23)31-26(20)33)29-18-8-10-19(11-9-18)30-25(32)16-5-3-2-4-6-16/h2-15H,1H3,(H,30,32)(H2,28,29,31,33)
InChIKeyVBMSTYSKTPYUGR-UHFFFAOYSA-N
XLogP4.86
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
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
methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 170005441
methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate
CID 157189950
1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide
CID 58168022
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-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide
CID 142700397
methyl 2-(4-benzamidoanilino)benzoate
CID 112988422
4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid
CID 169079762
N-phenyl-4-(quinolin-4-ylamino)benzamide
CID 58472461
methyl 4-[[5-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 130249565

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate?
The IUPAC name of methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate (CID 58168157) is methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate.
What is the SMILES notation for methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate?
The canonical SMILES for methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate is COC(=O)c1ccc2c(=O)[nH]c3nccc(Nc4ccc(NC(=O)c5ccccc5)cc4)c3c2c1.
What is the InChIKey of methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate?
The InChIKey is VBMSTYSKTPYUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O4/c1-35-27(34)17-7-12-20-21(15-17)23-22(13-14-28-24(23)31-26(20)33)29-18-8-10-19(11-9-18)30-25(32)16-5-3-2-4-6-16/h2-15H,1H3,(H,30,32)(H2,28,29,31,33).
What are the key properties of methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate?
methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate has a molecular weight of 464.48 g/mol, XLogP of 4.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate is sourced from PubChem (CID 58168157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).