1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid

C15H14N2O2 — CID 150190729

IUPAC1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2c1ccncc1
InChIInChI=1S/C15H14N2O2/c18-15(19)13-3-1-5-14-12(13)4-2-10-17(14)11-6-8-16-9-7-11/h1,3,5-9H,2,4,10H2,(H,18,19)
InChIKeyFNJNOGYUODZDLL-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.86
Rot. Bonds2

About 1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 150190729) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID150190729
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2c1ccncc1
InChIInChI=1S/C15H14N2O2/c18-15(19)13-3-1-5-14-12(13)4-2-10-17(14)11-6-8-16-9-7-11/h1,3,5-9H,2,4,10H2,(H,18,19)
InChIKeyFNJNOGYUODZDLL-UHFFFAOYSA-N
XLogP2.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 80695916
1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60708488
1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60838604
1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382581
1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 146083168
1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382534
1-[(3-methylpyrazin-2-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 167806762
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 56828575
1-(2-bromoprop-2-enyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60873220
1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60858133
1-[2-(azetidin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839962
1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 154740793

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 150190729) is 1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid is O=C(O)c1cccc2c1CCCN2c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is FNJNOGYUODZDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-15(19)13-3-1-5-14-12(13)4-2-10-17(14)11-6-8-16-9-7-11/h1,3,5-9H,2,4,10H2,(H,18,19).
What are the key properties of 1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 150190729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).