1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid

C14H13NO2 — CID 79425635

IUPAC1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C14H13NO2/c16-13(17)14(5-6-14)9-10-3-4-12-11(8-10)2-1-7-15-12/h1-4,7-8H,5-6,9H2,(H,16,17)
InChIKeyNZPDTZNJJMQCOB-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.64
Rot. Bonds3

About 1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid

1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid (PubChem CID 79425635) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid
PubChem CID79425635
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C14H13NO2/c16-13(17)14(5-6-14)9-10-3-4-12-11(8-10)2-1-7-15-12/h1-4,7-8H,5-6,9H2,(H,16,17)
InChIKeyNZPDTZNJJMQCOB-UHFFFAOYSA-N
XLogP2.64
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(quinolin-6-ylmethyl)oxane-3-carboxylic acid
CID 103719490
[1-(quinolin-6-ylmethyl)cyclopropyl]methanamine
CID 116997369
2-[1-(quinolin-6-ylmethylsulfanylmethyl)cyclopropyl]acetic acid
CID 65441723
4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid
CID 118666820
5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid
CID 168691392
[1-(quinolin-6-ylmethylamino)cyclobutyl]methanol
CID 113263671
5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one
CID 104687440
4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide
CID 167842749
ethane;quinoline-6-carboxylic acid
CID 91364452
4-(quinolin-6-ylmethyldiazenyl)benzoic acid
CID 91899522
1-methyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 115635138
1-(quinoline-6-carbonylamino)cyclobutane-1-carboxylic acid
CID 75355908

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid (CID 79425635) is 1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid is O=C(O)C1(Cc2ccc3ncccc3c2)CC1.
What is the InChIKey of 1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid?
The InChIKey is NZPDTZNJJMQCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-13(17)14(5-6-14)9-10-3-4-12-11(8-10)2-1-7-15-12/h1-4,7-8H,5-6,9H2,(H,16,17).
What are the key properties of 1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid?
1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 79425635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).