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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Related Compounds

1-methyl-2,3,4,5-tetrahydroazepino[2,3-b]quinolin-6-amine;oxalic acid
CID 2831775
4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid
CID 69016708
benzo[b]phenazine-6,11-dicarboxylic acid
CID 154692279
acridin-9-amine;λ2-plumbane
CID 173496858
4-amino-3-hydroxynaphthalene-1,2-dicarboxylic acid
CID 139899447
2-aminoacridine-1-carboxylic acid
CID 122423819
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
6-oxobenzo[c][1]benzazepine-11-carboxylic acid
CID 154239718
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
1-amino-4-carbamoylnaphthalene-2,3-dicarboxylic acid
CID 139721854
3-amino-2-methylnaphthalene-1-carboxylic acid
CID 154166226

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).