methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate

C20H20N2O5 — CID 18113019

IUPACmethyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc3c(c2)CCC(=O)N3)ccc1OC
InChIInChI=1S/C20H20N2O5/c1-26-17-7-3-12(9-15(17)20(25)27-2)11-21-19(24)14-4-6-16-13(10-14)5-8-18(23)22-16/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVQVRBBWMUKQMLB-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.30
Rot. Bonds5

About methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate

methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate (PubChem CID 18113019) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate
PubChem CID18113019
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Namemethyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc3c(c2)CCC(=O)N3)ccc1OC
InChIInChI=1S/C20H20N2O5/c1-26-17-7-3-12(9-15(17)20(25)27-2)11-21-19(24)14-4-6-16-13(10-14)5-8-18(23)22-16/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVQVRBBWMUKQMLB-UHFFFAOYSA-N
XLogP2.30
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate with MolForge

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Related Compounds

methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24613235
N-[(3-fluoro-4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31714300
4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46494287
2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18107678
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
3-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781541
N-[(4-methoxyphenyl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 11346996
methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate
CID 56545707
3,4-dimethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571300
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate?
The IUPAC name of methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate (CID 18113019) is methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate?
The canonical SMILES for methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate is COC(=O)c1cc(CNC(=O)c2ccc3c(c2)CCC(=O)N3)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate?
The InChIKey is VQVRBBWMUKQMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-26-17-7-3-12(9-15(17)20(25)27-2)11-21-19(24)14-4-6-16-13(10-14)5-8-18(23)22-16/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate?
methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate has a molecular weight of 368.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate is sourced from PubChem (CID 18113019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).