4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C24H24N4O3 — CID 67996405

IUPAC4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=C(c2cccnc2OC2CC(Nc3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C24H24N4O3/c29-24(30)28-12-9-16(10-13-28)20-5-3-11-25-23(20)31-19-14-18(15-19)26-22-8-7-17-4-1-2-6-21(17)27-22/h1-9,11,18-19H,10,12-15H2,(H,26,27)(H,29,30)
InChIKeyYGTUSYZKBORABS-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.42
Rot. Bonds5

About 4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 67996405) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID67996405
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=C(c2cccnc2OC2CC(Nc3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C24H24N4O3/c29-24(30)28-12-9-16(10-13-28)20-5-3-11-25-23(20)31-19-14-18(15-19)26-22-8-7-17-4-1-2-6-21(17)27-22/h1-9,11,18-19H,10,12-15H2,(H,26,27)(H,29,30)
InChIKeyYGTUSYZKBORABS-UHFFFAOYSA-N
XLogP4.42
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid with MolForge

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Related Compounds

2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 54759926
4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 69141777
pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone
CID 133404500
1-[4-[2-(4-aminophenoxy)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 59373928
4-(2-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 21105437
4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 155270648
1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine
CID 23026816
1-[4-(2-fluoro-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 59326965
N-(1-ethylpiperidin-4-yl)quinolin-2-amine
CID 60666937
1-[4-[3-(azetidin-3-yloxy)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-chloro-1,3-benzothiazole;hydrochloride
CID 162244086
(2-methoxy-3-pyridinyl)-[(3R)-3-quinolin-2-yloxypyrrolidin-1-yl]methanone
CID 124727992
[3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid
CID 67478740

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 67996405) is 4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is O=C(O)N1CC=C(c2cccnc2OC2CC(Nc3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is YGTUSYZKBORABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-24(30)28-12-9-16(10-13-28)20-5-3-11-25-23(20)31-19-14-18(15-19)26-22-8-7-17-4-1-2-6-21(17)27-22/h1-9,11,18-19H,10,12-15H2,(H,26,27)(H,29,30).
What are the key properties of 4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 416.48 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 67996405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).