1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid

C18H21NO2 — CID 79423213

IUPAC1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccnc3ccccc23)CCCCCC1
InChIInChI=1S/C18H21NO2/c20-17(21)18(10-5-1-2-6-11-18)13-14-9-12-19-16-8-4-3-7-15(14)16/h3-4,7-9,12H,1-2,5-6,10-11,13H2,(H,20,21)
InChIKeyWFRZYXMXNIGDFP-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.20
Rot. Bonds3

About 1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid

1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid (PubChem CID 79423213) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid
PubChem CID79423213
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccnc3ccccc23)CCCCCC1
InChIInChI=1S/C18H21NO2/c20-17(21)18(10-5-1-2-6-11-18)13-14-9-12-19-16-8-4-3-7-15(14)16/h3-4,7-9,12H,1-2,5-6,10-11,13H2,(H,20,21)
InChIKeyWFRZYXMXNIGDFP-UHFFFAOYSA-N
XLogP4.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dioxo-3-(quinolin-4-ylmethyl)thiolane-3-carboxylic acid
CID 115337922
1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone
CID 116600615
3-ethyl-1-(quinolin-4-ylmethyl)cyclopentane-1-carboxylic acid
CID 79423240
1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449424
1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid
CID 79423211
1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 79425020
1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid
CID 112726709
2,2-dimethyl-1-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 79834580
1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 79425688
1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 63851922
1-(1,3-benzothiazol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 43470940
quinolin-4-ylmethyl hydrogen carbonate
CID 154246402

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid (CID 79423213) is 1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid is O=C(O)C1(Cc2ccnc3ccccc23)CCCCCC1.
What is the InChIKey of 1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid?
The InChIKey is WFRZYXMXNIGDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-17(21)18(10-5-1-2-6-11-18)13-14-9-12-19-16-8-4-3-7-15(14)16/h3-4,7-9,12H,1-2,5-6,10-11,13H2,(H,20,21).
What are the key properties of 1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid?
1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 79423213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).