(1-carbamoyl-4-hydroxycyclohexyl) 8-hydroxyquinoline-7-carboxylate

C17H18N2O5 — CID 57296983

IUPAC(1-carbamoyl-4-hydroxycyclohexyl) 8-hydroxyquinoline-7-carboxylate
SMILESNC(=O)C1(OC(=O)c2ccc3cccnc3c2O)CCC(O)CC1
InChIInChI=1S/C17H18N2O5/c18-16(23)17(7-5-11(20)6-8-17)24-15(22)12-4-3-10-2-1-9-19-13(10)14(12)21/h1-4,9,11,20-21H,5-8H2,(H2,18,23)
InChIKeyCIKFNLWSSLEIGH-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.26
Rot. Bonds3

About (1-carbamoyl-4-hydroxycyclohexyl) 8-hydroxyquinoline-7-carboxylate

(1-carbamoyl-4-hydroxycyclohexyl) 8-hydroxyquinoline-7-carboxylate (PubChem CID 57296983) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is (1-carbamoyl-4-hydroxycyclohexyl) 8-hydroxyquinoline-7-carboxylate.

Molecular Properties

Compound Name(1-carbamoyl-4-hydroxycyclohexyl) 8-hydroxyquinoline-7-carboxylate
PubChem CID57296983
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name(1-carbamoyl-4-hydroxycyclohexyl) 8-hydroxyquinoline-7-carboxylate
SMILESNC(=O)C1(OC(=O)c2ccc3cccnc3c2O)CCC(O)CC1
InChIInChI=1S/C17H18N2O5/c18-16(23)17(7-5-11(20)6-8-17)24-15(22)12-4-3-10-2-1-9-19-13(10)14(12)21/h1-4,9,11,20-21H,5-8H2,(H2,18,23)
InChIKeyCIKFNLWSSLEIGH-UHFFFAOYSA-N
XLogP1.26
TPSA122.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,4-difluorocyclohexyl)-8-hydroxy-N-methylquinoline-7-carboxamide
CID 166278244
8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide
CID 53303052
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone
CID 95709384
N-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide
CID 59952071
8-hydroxy-N-(2-phenylcyclopropyl)quinoline-7-carboxamide
CID 20816868
8-hydroxy-N-(pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 53302604
N-(2,3-dimethylcyclohexyl)-8-hydroxyquinoline-7-carboxamide
CID 18372471
quinolin-8-yl 1-hydroxynaphthalene-2-carboxylate
CID 90474305
8-hydroxy-N,N-diphenylquinoline-7-carboxamide;hydrochloride
CID 70164229
2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone
CID 159756197
carbamoperoxoic acid;quinolin-8-ol
CID 175492056
bis(1,10-phenanthroline);ruthenium
CID 15001085

Frequently Asked Questions

What is the IUPAC name of (1-carbamoyl-4-hydroxycyclohexyl) 8-hydroxyquinoline-7-carboxylate?
The IUPAC name of (1-carbamoyl-4-hydroxycyclohexyl) 8-hydroxyquinoline-7-carboxylate (CID 57296983) is (1-carbamoyl-4-hydroxycyclohexyl) 8-hydroxyquinoline-7-carboxylate.
What is the SMILES notation for (1-carbamoyl-4-hydroxycyclohexyl) 8-hydroxyquinoline-7-carboxylate?
The canonical SMILES for (1-carbamoyl-4-hydroxycyclohexyl) 8-hydroxyquinoline-7-carboxylate is NC(=O)C1(OC(=O)c2ccc3cccnc3c2O)CCC(O)CC1.
What is the InChIKey of (1-carbamoyl-4-hydroxycyclohexyl) 8-hydroxyquinoline-7-carboxylate?
The InChIKey is CIKFNLWSSLEIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c18-16(23)17(7-5-11(20)6-8-17)24-15(22)12-4-3-10-2-1-9-19-13(10)14(12)21/h1-4,9,11,20-21H,5-8H2,(H2,18,23).
What are the key properties of (1-carbamoyl-4-hydroxycyclohexyl) 8-hydroxyquinoline-7-carboxylate?
(1-carbamoyl-4-hydroxycyclohexyl) 8-hydroxyquinoline-7-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoyl-4-hydroxycyclohexyl) 8-hydroxyquinoline-7-carboxylate is sourced from PubChem (CID 57296983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).