2-(2-acetamido-5-hydroxyphenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide

C26H23N5O4 — CID 175036611

IUPAC2-(2-acetamido-5-hydroxyphenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(-c1cc(O)ccc1NC(C)=O)n2-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C26H23N5O4/c1-14(32)28-21-8-6-18(33)13-19(21)25-30-22-12-16(26(35)27-2)3-9-23(22)31(25)17-5-7-20-15(11-17)4-10-24(34)29-20/h3,5-9,11-13,33H,4,10H2,1-2H3,(H,27,35)(H,28,32)(H,29,34)
InChIKeyPLNIIMYZJROPOE-UHFFFAOYSA-N
MW469.50 g/mol
LogP3.60
Rot. Bonds4

About 2-(2-acetamido-5-hydroxyphenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide

2-(2-acetamido-5-hydroxyphenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide (PubChem CID 175036611) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-(2-acetamido-5-hydroxyphenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-acetamido-5-hydroxyphenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide
PubChem CID175036611
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC Name2-(2-acetamido-5-hydroxyphenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(-c1cc(O)ccc1NC(C)=O)n2-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C26H23N5O4/c1-14(32)28-21-8-6-18(33)13-19(21)25-30-22-12-16(26(35)27-2)3-9-23(22)31(25)17-5-7-20-15(11-17)4-10-24(34)29-20/h3,5-9,11-13,33H,4,10H2,1-2H3,(H,27,35)(H,28,32)(H,29,34)
InChIKeyPLNIIMYZJROPOE-UHFFFAOYSA-N
XLogP3.60
TPSA125.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide
CID 154591738
N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide
CID 146216608
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 37043367
2-oxo-N-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103726730
N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453
N-(1-methylpyrazol-3-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18132198
methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate
CID 167934437
N-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 58916400
N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103728105
N-(2-carbamoylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761862
N'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide
CID 18104377
2-oxo-N-(5-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 78878186

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-hydroxyphenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide?
The IUPAC name of 2-(2-acetamido-5-hydroxyphenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide (CID 175036611) is 2-(2-acetamido-5-hydroxyphenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2-acetamido-5-hydroxyphenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2-acetamido-5-hydroxyphenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide is CNC(=O)c1ccc2c(c1)nc(-c1cc(O)ccc1NC(C)=O)n2-c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-(2-acetamido-5-hydroxyphenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide?
The InChIKey is PLNIIMYZJROPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-14(32)28-21-8-6-18(33)13-19(21)25-30-22-12-16(26(35)27-2)3-9-23(22)31(25)17-5-7-20-15(11-17)4-10-24(34)29-20/h3,5-9,11-13,33H,4,10H2,1-2H3,(H,27,35)(H,28,32)(H,29,34).
What are the key properties of 2-(2-acetamido-5-hydroxyphenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide?
2-(2-acetamido-5-hydroxyphenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 3.60, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-hydroxyphenyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 175036611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).