1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone

C25H28N4O2 — CID 54759922

IUPAC1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2OC2CC(Nc3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C25H28N4O2/c1-17(30)29-13-10-18(11-14-29)22-6-4-12-26-25(22)31-21-15-20(16-21)27-24-9-8-19-5-2-3-7-23(19)28-24/h2-9,12,18,20-21H,10-11,13-16H2,1H3,(H,27,28)
InChIKeyKWFULDZYTGWUOZ-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.38
Rot. Bonds5

About 1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone

1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 54759922) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
PubChem CID54759922
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2OC2CC(Nc3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C25H28N4O2/c1-17(30)29-13-10-18(11-14-29)22-6-4-12-26-25(22)31-21-15-20(16-21)27-24-9-8-19-5-2-3-7-23(19)28-24/h2-9,12,18,20-21H,10-11,13-16H2,1H3,(H,27,28)
InChIKeyKWFULDZYTGWUOZ-UHFFFAOYSA-N
XLogP4.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]-4-pyridin-2-ylpiperazine-1-carboxamide;hydrochloride
CID 49860631
1-[3-[[(1R,5S)-3-[(7-propan-2-yloxyquinolin-2-yl)amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-2-en-9-yl]ethanone
CID 44455507
4-(2-methoxyethoxy)-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 49822075
N-(3-ethylphenyl)-4-(1-methylpiperidin-4-yl)oxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 49822155
N-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53232478
1-[4-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone
CID 54670110
(4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 53308738
1-[4-[2-[4-(Hydroxymethyl)piperidin-1-yl]-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-5-yl]piperidin-1-yl]ethanone
CID 54596145
2-Methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 54759926
5-[2-[3-(Quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide
CID 58548515
2-Methyl-1-[4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]propan-1-one
CID 59373933
2-Methoxy-1-[4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]-1-piperidinyl]ethanone
CID 59374198

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone (CID 54759922) is 1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cccnc2OC2CC(Nc3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is KWFULDZYTGWUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-17(30)29-13-10-18(11-14-29)22-6-4-12-26-25(22)31-21-15-20(16-21)27-24-9-8-19-5-2-3-7-23(19)28-24/h2-9,12,18,20-21H,10-11,13-16H2,1H3,(H,27,28).
What are the key properties of 1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 416.53 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 54759922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).