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

C14H17NO2 — CID 106902942

IUPAC1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N(CC2CC2)C1
InChIInChI=1S/C14H17NO2/c16-14(17)12-7-11-3-1-2-4-13(11)15(9-12)8-10-5-6-10/h1-4,10,12H,5-9H2,(H,16,17)
InChIKeyGCMRQCQEGOIWJI-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.16
Rot. Bonds3

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

1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 106902942) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID106902942
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N(CC2CC2)C1
InChIInChI=1S/C14H17NO2/c16-14(17)12-7-11-3-1-2-4-13(11)15(9-12)8-10-5-6-10/h1-4,10,12H,5-9H2,(H,16,17)
InChIKeyGCMRQCQEGOIWJI-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-oxopyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 107530439
1-(oxan-2-ylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902946
1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903040
1-(2,2-difluoroethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903130
1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902910
1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903104
1-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902983
2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
CID 119958653
1-[(5-bromofuran-2-yl)methyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902992
1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone
CID 22882347
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
1-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903137

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 106902942) is 1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is O=C(O)C1Cc2ccccc2N(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is GCMRQCQEGOIWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(17)12-7-11-3-1-2-4-13(11)15(9-12)8-10-5-6-10/h1-4,10,12H,5-9H2,(H,16,17).
What are the key properties of 1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 231.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 106902942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).