4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

C15H13FN2O2 — CID 155270648

IUPAC4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=C(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C15H13FN2O2/c16-11-1-2-14-13(9-11)12(3-6-17-14)10-4-7-18(8-5-10)15(19)20/h1-4,6,9H,5,7-8H2,(H,19,20)
InChIKeyPBRHGVOKRREIKR-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.14
Rot. Bonds1

About 4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 155270648) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID155270648
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=C(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C15H13FN2O2/c16-11-1-2-14-13(9-11)12(3-6-17-14)10-4-7-18(8-5-10)15(19)20/h1-4,6,9H,5,7-8H2,(H,19,20)
InChIKeyPBRHGVOKRREIKR-UHFFFAOYSA-N
XLogP3.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one
CID 139509915
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone
CID 86911397
6-fluoro-3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 55848383
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone
CID 113086895
4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 69141777
1-[4-(2-fluoro-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 59326965
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 143765594
4-[5-(3,4-difluorobenzoyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175002144
4-(4-ethoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175762548
(2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 61292889

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 155270648) is 4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is O=C(O)N1CC=C(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is PBRHGVOKRREIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-11-1-2-14-13(9-11)12(3-6-17-14)10-4-7-18(8-5-10)15(19)20/h1-4,6,9H,5,7-8H2,(H,19,20).
What are the key properties of 4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 272.28 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 155270648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).