[4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid

C26H23N3O5 — CID 66676219

IUPAC[4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid
SMILESCCOc1ccccc1-c1ccc(CNC(=O)O)cc1NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C26H23N3O5/c1-2-34-23-10-6-4-7-18(23)17-12-11-16(14-28-26(32)33)13-22(17)29-25(31)20-15-27-21-9-5-3-8-19(21)24(20)30/h3-13,15,28H,2,14H2,1H3,(H,27,30)(H,29,31)(H,32,33)
InChIKeyKQUATZNEZSOVFM-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.61
Rot. Bonds7

About [4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid

[4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid (PubChem CID 66676219) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid
PubChem CID66676219
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC Name[4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid
SMILESCCOc1ccccc1-c1ccc(CNC(=O)O)cc1NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C26H23N3O5/c1-2-34-23-10-6-4-7-18(23)17-12-11-16(14-28-26(32)33)13-22(17)29-25(31)20-15-27-21-9-5-3-8-19(21)24(20)30/h3-13,15,28H,2,14H2,1H3,(H,27,30)(H,29,31)(H,32,33)
InChIKeyKQUATZNEZSOVFM-UHFFFAOYSA-N
XLogP4.61
TPSA120.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid with MolForge

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Related Compounds

4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide
CID 55602361
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55786955
N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 169084828
N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 154801359
4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 60553799
[3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid
CID 126736396
[1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate
CID 175115310
4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide
CID 137464807
N-(4-tert-butyl-2-ethyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 87461578
4-oxo-N-[5-phenylmethoxy-4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide
CID 53246296
N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 30131667

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid?
The IUPAC name of [4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid (CID 66676219) is [4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid.
What is the SMILES notation for [4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid?
The canonical SMILES for [4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid is CCOc1ccccc1-c1ccc(CNC(=O)O)cc1NC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of [4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid?
The InChIKey is KQUATZNEZSOVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-2-34-23-10-6-4-7-18(23)17-12-11-16(14-28-26(32)33)13-22(17)29-25(31)20-15-27-21-9-5-3-8-19(21)24(20)30/h3-13,15,28H,2,14H2,1H3,(H,27,30)(H,29,31)(H,32,33).
What are the key properties of [4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid?
[4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid has a molecular weight of 457.49 g/mol, XLogP of 4.61, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid is sourced from PubChem (CID 66676219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).