2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid

C16H16N2O3 — CID 53368137

IUPAC2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H16N2O3/c1-16(2)12(13(16)15(20)21)14(19)18-10-7-9-5-3-4-6-11(9)17-8-10/h3-8,12-13H,1-2H3,(H,18,19)(H,20,21)
InChIKeySZIDPWDURJYXTN-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.53
Rot. Bonds3

About 2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid

2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 53368137) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID53368137
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H16N2O3/c1-16(2)12(13(16)15(20)21)14(19)18-10-7-9-5-3-4-6-11(9)17-8-10/h3-8,12-13H,1-2H3,(H,18,19)(H,20,21)
InChIKeySZIDPWDURJYXTN-UHFFFAOYSA-N
XLogP2.53
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(quinolin-6-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835821
2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide
CID 114995607
(1R,2S,3S,4R)-3-(quinolin-3-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 18555567
cis-(1S,3R)-3-[(6-chloro-3-pyridinyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95389956
methyl N-quinolin-3-ylcarbamate
CID 19697860
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
(2S,4R)-4-amino-1-methyl-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 59895156
1-methyl-1-phenyl-3-quinolin-3-ylurea
CID 886905
1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 11579880
2-amino-2-phenyl-N-quinolin-3-ylacetamide
CID 43704715
N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 119840923

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 53368137) is 2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is SZIDPWDURJYXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-16(2)12(13(16)15(20)21)14(19)18-10-7-9-5-3-4-6-11(9)17-8-10/h3-8,12-13H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 53368137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).