tert-butyl-[2-(1-methyl-2-oxoquinolin-3-yl)-2-oxoethyl]carbamic acid

C17H20N2O4 — CID 118275068

IUPACtert-butyl-[2-(1-methyl-2-oxoquinolin-3-yl)-2-oxoethyl]carbamic acid
SMILESCn1c(=O)c(C(=O)CN(C(=O)O)C(C)(C)C)cc2ccccc21
InChIInChI=1S/C17H20N2O4/c1-17(2,3)19(16(22)23)10-14(20)12-9-11-7-5-6-8-13(11)18(4)15(12)21/h5-9H,10H2,1-4H3,(H,22,23)
InChIKeyCQNICUKWVNIKEU-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.50
Rot. Bonds3

About tert-butyl-[2-(1-methyl-2-oxoquinolin-3-yl)-2-oxoethyl]carbamic acid

tert-butyl-[2-(1-methyl-2-oxoquinolin-3-yl)-2-oxoethyl]carbamic acid (PubChem CID 118275068) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is tert-butyl-[2-(1-methyl-2-oxoquinolin-3-yl)-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-(1-methyl-2-oxoquinolin-3-yl)-2-oxoethyl]carbamic acid
PubChem CID118275068
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Nametert-butyl-[2-(1-methyl-2-oxoquinolin-3-yl)-2-oxoethyl]carbamic acid
SMILESCn1c(=O)c(C(=O)CN(C(=O)O)C(C)(C)C)cc2ccccc21
InChIInChI=1S/C17H20N2O4/c1-17(2,3)19(16(22)23)10-14(20)12-9-11-7-5-6-8-13(11)18(4)15(12)21/h5-9H,10H2,1-4H3,(H,22,23)
InChIKeyCQNICUKWVNIKEU-UHFFFAOYSA-N
XLogP2.50
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl-[2-(1-methyl-2-oxoquinolin-3-yl)-2-oxoethyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoate
CID 164510981
3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 59736944
3-amino-1-methylquinolin-2-one
CID 19417653
(3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 165422453
3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one
CID 84626143
(4aS,8aS)-1-methyl-7-(1-methyl-2-oxoquinoline-3-carbonyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135112785
2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid
CID 110834916
3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one
CID 16641429
3-iodo-1-methylquinolin-2-one
CID 15733001
3-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1-methylquinolin-2-one
CID 164693779
(3R)-3-hydroxy-3-(1-methylindol-2-yl)propanoic acid
CID 96609351
3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 116985074

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(1-methyl-2-oxoquinolin-3-yl)-2-oxoethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-(1-methyl-2-oxoquinolin-3-yl)-2-oxoethyl]carbamic acid (CID 118275068) is tert-butyl-[2-(1-methyl-2-oxoquinolin-3-yl)-2-oxoethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-(1-methyl-2-oxoquinolin-3-yl)-2-oxoethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-(1-methyl-2-oxoquinolin-3-yl)-2-oxoethyl]carbamic acid is Cn1c(=O)c(C(=O)CN(C(=O)O)C(C)(C)C)cc2ccccc21.
What is the InChIKey of tert-butyl-[2-(1-methyl-2-oxoquinolin-3-yl)-2-oxoethyl]carbamic acid?
The InChIKey is CQNICUKWVNIKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-17(2,3)19(16(22)23)10-14(20)12-9-11-7-5-6-8-13(11)18(4)15(12)21/h5-9H,10H2,1-4H3,(H,22,23).
What are the key properties of tert-butyl-[2-(1-methyl-2-oxoquinolin-3-yl)-2-oxoethyl]carbamic acid?
tert-butyl-[2-(1-methyl-2-oxoquinolin-3-yl)-2-oxoethyl]carbamic acid has a molecular weight of 316.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(1-methyl-2-oxoquinolin-3-yl)-2-oxoethyl]carbamic acid is sourced from PubChem (CID 118275068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).