4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid

C19H23N3O4 — CID 122015078

IUPAC4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCn1c(=O)c(CNC(=O)NC2CCC(C(=O)O)CC2)cc2ccccc21
InChIInChI=1S/C19H23N3O4/c1-22-16-5-3-2-4-13(16)10-14(17(22)23)11-20-19(26)21-15-8-6-12(7-9-15)18(24)25/h2-5,10,12,15H,6-9,11H2,1H3,(H,24,25)(H2,20,21,26)
InChIKeyYXSUXAYZHYSYGP-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.98
Rot. Bonds4

About 4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid

4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122015078) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122015078
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCn1c(=O)c(CNC(=O)NC2CCC(C(=O)O)CC2)cc2ccccc21
InChIInChI=1S/C19H23N3O4/c1-22-16-5-3-2-4-13(16)10-14(17(22)23)11-20-19(26)21-15-8-6-12(7-9-15)18(24)25/h2-5,10,12,15H,6-9,11H2,1H3,(H,24,25)(H2,20,21,26)
InChIKeyYXSUXAYZHYSYGP-UHFFFAOYSA-N
XLogP1.98
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide
CID 154780356
1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide
CID 138042455
4-[(4-bromo-2-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001618
4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 82872608
4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006275
1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 154796285
N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166420208
4-[(2-bromothiophen-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122013522
1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one
CID 146145187
1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 167848659
4-[(4-fluorophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61190166
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63309326

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 122015078) is 4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is Cn1c(=O)c(CNC(=O)NC2CCC(C(=O)O)CC2)cc2ccccc21.
What is the InChIKey of 4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is YXSUXAYZHYSYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-22-16-5-3-2-4-13(16)10-14(17(22)23)11-20-19(26)21-15-8-6-12(7-9-15)18(24)25/h2-5,10,12,15H,6-9,11H2,1H3,(H,24,25)(H2,20,21,26).
What are the key properties of 4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122015078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).