methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate

C18H18N2O4 — CID 66495211

IUPACmethyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C18H18N2O4/c1-24-18(23)12-7-3-5-9-15(12)20-17(22)13-10-11-6-2-4-8-14(11)19-16(13)21/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyYCXJZDKLYQYBEX-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.29
Rot. Bonds3

About methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate

methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate (PubChem CID 66495211) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate
PubChem CID66495211
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namemethyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C18H18N2O4/c1-24-18(23)12-7-3-5-9-15(12)20-17(22)13-10-11-6-2-4-8-14(11)19-16(13)21/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyYCXJZDKLYQYBEX-UHFFFAOYSA-N
XLogP2.29
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate with MolForge

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66495704
N-(2,4-dichlorophenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66495696
N-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495293
methyl 2-[[7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonyl]amino]benzoate
CID 53086104
methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate
CID 108784479
2-oxo-N-quinolin-5-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 52898614
(2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid
CID 119368016
methyl 2-[(4-methyl-3-thia-7-azatricyclo[6.5.0.02,6]trideca-1(8),2(6),4-triene-5-carbonyl)amino]benzoate
CID 20974363
N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 97314752
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495526
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 120881395

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate (CID 66495211) is methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate?
The InChIKey is YCXJZDKLYQYBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-24-18(23)12-7-3-5-9-15(12)20-17(22)13-10-11-6-2-4-8-14(11)19-16(13)21/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate?
methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate has a molecular weight of 326.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate is sourced from PubChem (CID 66495211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).