4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid

C16H18N2O3 — CID 167743343

IUPAC4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1NC1CCC(O)CC1
InChIInChI=1S/C16H18N2O3/c19-11-7-5-10(6-8-11)18-15-12-3-1-2-4-14(12)17-9-13(15)16(20)21/h1-4,9-11,19H,5-8H2,(H,17,18)(H,20,21)
InChIKeyDTYOTQSJGPOZJY-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.65
Rot. Bonds3

About 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid

4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid (PubChem CID 167743343) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid
PubChem CID167743343
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1NC1CCC(O)CC1
InChIInChI=1S/C16H18N2O3/c19-11-7-5-10(6-8-11)18-15-12-3-1-2-4-14(12)17-9-13(15)16(20)21/h1-4,9-11,19H,5-8H2,(H,17,18)(H,20,21)
InChIKeyDTYOTQSJGPOZJY-UHFFFAOYSA-N
XLogP2.65
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid
CID 63510528
4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid
CID 66006604
4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile
CID 43668939
4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid
CID 61404666
4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid
CID 55090979
4-(cycloheptylamino)quinoline-3-carbothioamide
CID 43669629
4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61339890
N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide
CID 78844705
6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid
CID 118523363
4-(4-carboxyanilino)quinoline-3-carboxylic acid
CID 7719142
4-(cyclopentylamino)cinnoline-3-carboxylic acid
CID 64625154
4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid
CID 107853405

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid?
The IUPAC name of 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid (CID 167743343) is 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid is O=C(O)c1cnc2ccccc2c1NC1CCC(O)CC1.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid?
The InChIKey is DTYOTQSJGPOZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-11-7-5-10(6-8-11)18-15-12-3-1-2-4-14(12)17-9-13(15)16(20)21/h1-4,9-11,19H,5-8H2,(H,17,18)(H,20,21).
What are the key properties of 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid?
4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 167743343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).