ethyl 4-(1-hydroxycyclooctyl)-4H-quinoline-1-carboxylate

C20H27NO3 — CID 138967057

IUPACethyl 4-(1-hydroxycyclooctyl)-4H-quinoline-1-carboxylate
SMILESCCOC(=O)N1C=CC(C2(O)CCCCCCC2)c2ccccc21
InChIInChI=1S/C20H27NO3/c1-2-24-19(22)21-15-12-17(16-10-6-7-11-18(16)21)20(23)13-8-4-3-5-9-14-20/h6-7,10-12,15,17,23H,2-5,8-9,13-14H2,1H3
InChIKeySXKBARRGXQYIBF-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.74
Rot. Bonds2

About ethyl 4-(1-hydroxycyclooctyl)-4H-quinoline-1-carboxylate

ethyl 4-(1-hydroxycyclooctyl)-4H-quinoline-1-carboxylate (PubChem CID 138967057) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is ethyl 4-(1-hydroxycyclooctyl)-4H-quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-hydroxycyclooctyl)-4H-quinoline-1-carboxylate
PubChem CID138967057
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Nameethyl 4-(1-hydroxycyclooctyl)-4H-quinoline-1-carboxylate
SMILESCCOC(=O)N1C=CC(C2(O)CCCCCCC2)c2ccccc21
InChIInChI=1S/C20H27NO3/c1-2-24-19(22)21-15-12-17(16-10-6-7-11-18(16)21)20(23)13-8-4-3-5-9-14-20/h6-7,10-12,15,17,23H,2-5,8-9,13-14H2,1H3
InChIKeySXKBARRGXQYIBF-UHFFFAOYSA-N
XLogP4.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-hydroxycyclooctyl)-4H-quinoline-1-carboxylate?
The IUPAC name of ethyl 4-(1-hydroxycyclooctyl)-4H-quinoline-1-carboxylate (CID 138967057) is ethyl 4-(1-hydroxycyclooctyl)-4H-quinoline-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-hydroxycyclooctyl)-4H-quinoline-1-carboxylate?
The canonical SMILES for ethyl 4-(1-hydroxycyclooctyl)-4H-quinoline-1-carboxylate is CCOC(=O)N1C=CC(C2(O)CCCCCCC2)c2ccccc21.
What is the InChIKey of ethyl 4-(1-hydroxycyclooctyl)-4H-quinoline-1-carboxylate?
The InChIKey is SXKBARRGXQYIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-2-24-19(22)21-15-12-17(16-10-6-7-11-18(16)21)20(23)13-8-4-3-5-9-14-20/h6-7,10-12,15,17,23H,2-5,8-9,13-14H2,1H3.
What are the key properties of ethyl 4-(1-hydroxycyclooctyl)-4H-quinoline-1-carboxylate?
ethyl 4-(1-hydroxycyclooctyl)-4H-quinoline-1-carboxylate has a molecular weight of 329.44 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-hydroxycyclooctyl)-4H-quinoline-1-carboxylate is sourced from PubChem (CID 138967057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).