1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid

C14H15ClN2O3 — CID 106902877

IUPAC1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESC=C(Cl)CNC(=O)N1CC(C(=O)O)Cc2ccccc21
InChIInChI=1S/C14H15ClN2O3/c1-9(15)7-16-14(20)17-8-11(13(18)19)6-10-4-2-3-5-12(10)17/h2-5,11H,1,6-8H2,(H,16,20)(H,18,19)
InChIKeyOHCWNRCTXQXDSB-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.21
Rot. Bonds3

About 1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid

1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 106902877) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID106902877
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESC=C(Cl)CNC(=O)N1CC(C(=O)O)Cc2ccccc21
InChIInChI=1S/C14H15ClN2O3/c1-9(15)7-16-14(20)17-8-11(13(18)19)6-10-4-2-3-5-12(10)17/h2-5,11H,1,6-8H2,(H,16,20)(H,18,19)
InChIKeyOHCWNRCTXQXDSB-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902875
1-(2,2-dimethylpropylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902849
1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901919
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 86768829
1-(2-methylsulfonylacetyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902475
2-hydroxy-4-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 107839949
1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902942
1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901905
1-[butan-2-yl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902836
(2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104940149
1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902469

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 106902877) is 1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is C=C(Cl)CNC(=O)N1CC(C(=O)O)Cc2ccccc21.
What is the InChIKey of 1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is OHCWNRCTXQXDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-9(15)7-16-14(20)17-8-11(13(18)19)6-10-4-2-3-5-12(10)17/h2-5,11H,1,6-8H2,(H,16,20)(H,18,19).
What are the key properties of 1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 294.74 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 106902877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).