7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid

C25H25NO4 — CID 58064618

IUPAC7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid
SMILESCOC(=O)CC1CCC(c2ccc(-c3ccc4c(C(=O)O)ccnc4c3)cc2)CC1
InChIInChI=1S/C25H25NO4/c1-30-24(27)14-16-2-4-17(5-3-16)18-6-8-19(9-7-18)20-10-11-21-22(25(28)29)12-13-26-23(21)15-20/h6-13,15-17H,2-5,14H2,1H3,(H,28,29)
InChIKeySQHAAPOWCOLPLB-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.44
Rot. Bonds5

About 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid

7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid (PubChem CID 58064618) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid
PubChem CID58064618
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid
SMILESCOC(=O)CC1CCC(c2ccc(-c3ccc4c(C(=O)O)ccnc4c3)cc2)CC1
InChIInChI=1S/C25H25NO4/c1-30-24(27)14-16-2-4-17(5-3-16)18-6-8-19(9-7-18)20-10-11-21-22(25(28)29)12-13-26-23(21)15-20/h6-13,15-17H,2-5,14H2,1H3,(H,28,29)
InChIKeySQHAAPOWCOLPLB-UHFFFAOYSA-N
XLogP5.44
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[4-(2-chloropyrimidin-5-yl)phenyl]cyclohexyl]acetate
CID 86634684
7-cyclohexylquinoline-4-carboxylic acid
CID 138508053
methyl 2-[4-[4-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-7-yl)phenyl]cyclohexyl]acetate
CID 58064393
methyl 2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetate
CID 118561959
methyl 2-[4-[4-(trifluoromethylsulfonyloxy)phenyl]cyclohexyl]acetate
CID 58909683
methyl 2-[4-[4-[6-(6-bromo-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]cyclohexyl]acetate
CID 56959359
methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate
CID 172578240
methyl 2-[4-[4-(4-chloro-2-methyl-7-oxopyrano[2,3-d]pyrimidin-6-yl)phenyl]cyclohexyl]acetate
CID 58909527
7-(1-methoxyethyl)quinoline-4-carboxylic acid
CID 170539827
7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 58064485
methyl 2-[4-[4-[5-[(5-cyclopropyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]phenyl]cyclohexyl]acetate
CID 24937147
7-fluoroquinoline-4-carboxylic acid
CID 18475507

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid (CID 58064618) is 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid is COC(=O)CC1CCC(c2ccc(-c3ccc4c(C(=O)O)ccnc4c3)cc2)CC1.
What is the InChIKey of 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid?
The InChIKey is SQHAAPOWCOLPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-30-24(27)14-16-2-4-17(5-3-16)18-6-8-19(9-7-18)20-10-11-21-22(25(28)29)12-13-26-23(21)15-20/h6-13,15-17H,2-5,14H2,1H3,(H,28,29).
What are the key properties of 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid?
7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid has a molecular weight of 403.48 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 58064618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).