4-[2-(6-ethoxyquinolin-4-yl)ethyl]-4-hydroxycyclohexane-1-carboxylic acid

C20H25NO4 — CID 66921484

IUPAC4-[2-(6-ethoxyquinolin-4-yl)ethyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCCOc1ccc2nccc(CCC3(O)CCC(C(=O)O)CC3)c2c1
InChIInChI=1S/C20H25NO4/c1-2-25-16-3-4-18-17(13-16)14(8-12-21-18)5-9-20(24)10-6-15(7-11-20)19(22)23/h3-4,8,12-13,15,24H,2,5-7,9-11H2,1H3,(H,22,23)
InChIKeyGHAMEMTUKMXDLC-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.57
Rot. Bonds6

About 4-[2-(6-ethoxyquinolin-4-yl)ethyl]-4-hydroxycyclohexane-1-carboxylic acid

4-[2-(6-ethoxyquinolin-4-yl)ethyl]-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 66921484) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-[2-(6-ethoxyquinolin-4-yl)ethyl]-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(6-ethoxyquinolin-4-yl)ethyl]-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID66921484
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name4-[2-(6-ethoxyquinolin-4-yl)ethyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCCOc1ccc2nccc(CCC3(O)CCC(C(=O)O)CC3)c2c1
InChIInChI=1S/C20H25NO4/c1-2-25-16-3-4-18-17(13-16)14(8-12-21-18)5-9-20(24)10-6-15(7-11-20)19(22)23/h3-4,8,12-13,15,24H,2,5-7,9-11H2,1H3,(H,22,23)
InChIKeyGHAMEMTUKMXDLC-UHFFFAOYSA-N
XLogP3.57
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloroquinolin-3-yl)methylamino]-1-[2-(6-methoxyquinolin-4-yl)ethyl]cyclohexan-1-ol
CID 21104621
N-[2-(6-methoxyquinolin-4-yl)ethyl]cyclopropanecarboxamide
CID 19709964
ethyl 3-(6-methoxyquinolin-4-yl)propanoate
CID 66736782
N-[2-[6-(2-bromocyclopropyl)oxyquinolin-4-yl]ethyl]acetamide
CID 175436333
(3R,4R)-1-(3-cycloheptylsulfanylpropyl)-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid
CID 21346589
4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106497097
ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate
CID 167976497
2-[(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetic acid
CID 21347710
3-(6-methoxyquinolin-4-yl)propanal
CID 10751165
(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)propyl]-1-[4-(1-methylpyrrol-3-yl)butyl]piperidine-3-carboxylic acid
CID 70175142
2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone
CID 69363599
(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)propyl]-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]piperidine-3-carboxylic acid
CID 70173925

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-ethoxyquinolin-4-yl)ethyl]-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(6-ethoxyquinolin-4-yl)ethyl]-4-hydroxycyclohexane-1-carboxylic acid (CID 66921484) is 4-[2-(6-ethoxyquinolin-4-yl)ethyl]-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(6-ethoxyquinolin-4-yl)ethyl]-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(6-ethoxyquinolin-4-yl)ethyl]-4-hydroxycyclohexane-1-carboxylic acid is CCOc1ccc2nccc(CCC3(O)CCC(C(=O)O)CC3)c2c1.
What is the InChIKey of 4-[2-(6-ethoxyquinolin-4-yl)ethyl]-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is GHAMEMTUKMXDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-2-25-16-3-4-18-17(13-16)14(8-12-21-18)5-9-20(24)10-6-15(7-11-20)19(22)23/h3-4,8,12-13,15,24H,2,5-7,9-11H2,1H3,(H,22,23).
What are the key properties of 4-[2-(6-ethoxyquinolin-4-yl)ethyl]-4-hydroxycyclohexane-1-carboxylic acid?
4-[2-(6-ethoxyquinolin-4-yl)ethyl]-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 343.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-ethoxyquinolin-4-yl)ethyl]-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 66921484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).