methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate

C19H18N2O4 — CID 70129962

IUPACmethyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(NC(=O)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C19H18N2O4/c1-25-17(22)12-21-16-10-6-5-9-14(16)11-15(19(21)24)20-18(23)13-7-3-2-4-8-13/h2-10,15H,11-12H2,1H3,(H,20,23)
InChIKeyXPBPHSYKWFYAJH-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.55
Rot. Bonds4

About methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate

methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate (PubChem CID 70129962) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate
PubChem CID70129962
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(NC(=O)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C19H18N2O4/c1-25-17(22)12-21-16-10-6-5-9-14(16)11-15(19(21)24)20-18(23)13-7-3-2-4-8-13/h2-10,15H,11-12H2,1H3,(H,20,23)
InChIKeyXPBPHSYKWFYAJH-UHFFFAOYSA-N
XLogP1.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[4-[[1-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydroquinolin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate
CID 67664731
tert-butyl N-[(3S)-1-[2-(methoxyamino)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]carbamate
CID 22868947
2-[(3S)-1-acetyl-3-benzamido-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid
CID 18396555
tert-butyl 2-[3-(naphthalene-2-carbonylamino)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate
CID 14590302
tert-butyl N-[(3S)-1-[2-(methylamino)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]carbamate
CID 22868948
benzyl 2-[(3S)-3-benzamido-4-oxo-1-(3-oxobutanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate
CID 57080557
tert-butyl N-[(3S)-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]carbamate
CID 22868936
(3S)-1-(2-methoxyethyl)-3-(tritylamino)-3,4-dihydroquinolin-2-one
CID 57279252
methyl (2S)-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindole-2-carboxylate
CID 100944786
tert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate
CID 22868946
methyl 2-[7-chloro-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-oxo-3,4-dihydroquinolin-1-yl]acetate
CID 57431481
methyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate
CID 142869381

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate?
The IUPAC name of methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate (CID 70129962) is methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate?
The canonical SMILES for methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate is COC(=O)CN1C(=O)C(NC(=O)c2ccccc2)Cc2ccccc21.
What is the InChIKey of methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate?
The InChIKey is XPBPHSYKWFYAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-25-17(22)12-21-16-10-6-5-9-14(16)11-15(19(21)24)20-18(23)13-7-3-2-4-8-13/h2-10,15H,11-12H2,1H3,(H,20,23).
What are the key properties of methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate?
methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate has a molecular weight of 338.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate is sourced from PubChem (CID 70129962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).