4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C19H22N2O4 — CID 167758245

IUPAC4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1cc(CNC(=O)C2CCC(C(=O)O)CC2)c2ccccc2n1
InChIInChI=1S/C19H22N2O4/c1-25-17-10-14(15-4-2-3-5-16(15)21-17)11-20-18(22)12-6-8-13(9-7-12)19(23)24/h2-5,10,12-13H,6-9,11H2,1H3,(H,20,22)(H,23,24)
InChIKeyBZFPLTUBAFTPCK-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.75
Rot. Bonds5

About 4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 167758245) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID167758245
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1cc(CNC(=O)C2CCC(C(=O)O)CC2)c2ccccc2n1
InChIInChI=1S/C19H22N2O4/c1-25-17-10-14(15-4-2-3-5-16(15)21-17)11-20-18(22)12-6-8-13(9-7-12)19(23)24/h2-5,10,12-13H,6-9,11H2,1H3,(H,20,22)(H,23,24)
InChIKeyBZFPLTUBAFTPCK-UHFFFAOYSA-N
XLogP2.75
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide
CID 155949082
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
CID 96565858
1-[(1S)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
CID 96565857
5-(methoxymethyl)-N-[(2-methoxyquinolin-4-yl)methyl]furan-2-carboxamide
CID 71998445
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 78852537
N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropanecarboxamide
CID 110902492
1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148544
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
CID 62952159
4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107602545
4-[(3-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672581

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 167758245) is 4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is COc1cc(CNC(=O)C2CCC(C(=O)O)CC2)c2ccccc2n1.
What is the InChIKey of 4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is BZFPLTUBAFTPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-25-17-10-14(15-4-2-3-5-16(15)21-17)11-20-18(22)12-6-8-13(9-7-12)19(23)24/h2-5,10,12-13H,6-9,11H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 342.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 167758245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).