4-amino-2-(1-hydroxycyclohexyl)quinoline-3-carboxylic acid

C16H18N2O3 — CID 129104476

IUPAC4-amino-2-(1-hydroxycyclohexyl)quinoline-3-carboxylic acid
SMILESNc1c(C(=O)O)c(C2(O)CCCCC2)nc2ccccc12
InChIInChI=1S/C16H18N2O3/c17-13-10-6-2-3-7-11(10)18-14(12(13)15(19)20)16(21)8-4-1-5-9-16/h2-3,6-7,21H,1,4-5,8-9H2,(H2,17,18)(H,19,20)
InChIKeyZCLIJRCDVCWERY-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.67
Rot. Bonds2

About 4-amino-2-(1-hydroxycyclohexyl)quinoline-3-carboxylic acid

4-amino-2-(1-hydroxycyclohexyl)quinoline-3-carboxylic acid (PubChem CID 129104476) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-amino-2-(1-hydroxycyclohexyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(1-hydroxycyclohexyl)quinoline-3-carboxylic acid
PubChem CID129104476
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-amino-2-(1-hydroxycyclohexyl)quinoline-3-carboxylic acid
SMILESNc1c(C(=O)O)c(C2(O)CCCCC2)nc2ccccc12
InChIInChI=1S/C16H18N2O3/c17-13-10-6-2-3-7-11(10)18-14(12(13)15(19)20)16(21)8-4-1-5-9-16/h2-3,6-7,21H,1,4-5,8-9H2,(H2,17,18)(H,19,20)
InChIKeyZCLIJRCDVCWERY-UHFFFAOYSA-N
XLogP2.67
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-hydroxycyclohexyl)quinoline-3-carboxylic acid?
The IUPAC name of 4-amino-2-(1-hydroxycyclohexyl)quinoline-3-carboxylic acid (CID 129104476) is 4-amino-2-(1-hydroxycyclohexyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-(1-hydroxycyclohexyl)quinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-2-(1-hydroxycyclohexyl)quinoline-3-carboxylic acid is Nc1c(C(=O)O)c(C2(O)CCCCC2)nc2ccccc12.
What is the InChIKey of 4-amino-2-(1-hydroxycyclohexyl)quinoline-3-carboxylic acid?
The InChIKey is ZCLIJRCDVCWERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-13-10-6-2-3-7-11(10)18-14(12(13)15(19)20)16(21)8-4-1-5-9-16/h2-3,6-7,21H,1,4-5,8-9H2,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-2-(1-hydroxycyclohexyl)quinoline-3-carboxylic acid?
4-amino-2-(1-hydroxycyclohexyl)quinoline-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-hydroxycyclohexyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 129104476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).