4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid

C18H22N2O2 — CID 122060012

IUPAC4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nc2ccccc2c(NC2CCC(C(=O)O)CC2)c1C
InChIInChI=1S/C18H22N2O2/c1-11-12(2)19-16-6-4-3-5-15(16)17(11)20-14-9-7-13(8-10-14)18(21)22/h3-6,13-14H,7-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyITTFSKKAEFTOKY-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.91
Rot. Bonds3

About 4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid

4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122060012) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID122060012
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nc2ccccc2c(NC2CCC(C(=O)O)CC2)c1C
InChIInChI=1S/C18H22N2O2/c1-11-12(2)19-16-6-4-3-5-15(16)17(11)20-14-9-7-13(8-10-14)18(21)22/h3-6,13-14H,7-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyITTFSKKAEFTOKY-UHFFFAOYSA-N
XLogP3.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68883216
1-[4-[(2,3-dimethylquinolin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol
CID 133451891
2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine
CID 133451671
3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66032758
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 18163674
4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060070
4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid
CID 63510528
4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 167758245
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
4-[(6-methoxy-2-methyl-3-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 122032136
cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid
CID 106322010
cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678711

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid (CID 122060012) is 4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid is Cc1nc2ccccc2c(NC2CCC(C(=O)O)CC2)c1C.
What is the InChIKey of 4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ITTFSKKAEFTOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-11-12(2)19-16-6-4-3-5-15(16)17(11)20-14-9-7-13(8-10-14)18(21)22/h3-6,13-14H,7-10H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid?
4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 298.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122060012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).