6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

C22H27N5O — CID 177144415

IUPAC6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cncc(N4CCN(C5CNC5)CC4)c3)ccc21
InChIInChI=1S/C22H27N5O/c1-25-21-4-2-16(10-17(21)3-5-22(25)28)18-11-19(13-23-12-18)26-6-8-27(9-7-26)20-14-24-15-20/h2,4,10-13,20,24H,3,5-9,14-15H2,1H3
InChIKeyCCKLYPWYYJJDGZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.75
Rot. Bonds3

About 6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 177144415) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID177144415
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cncc(N4CCN(C5CNC5)CC4)c3)ccc21
InChIInChI=1S/C22H27N5O/c1-25-21-4-2-16(10-17(21)3-5-22(25)28)18-11-19(13-23-12-18)26-6-8-27(9-7-26)20-14-24-15-20/h2,4,10-13,20,24H,3,5-9,14-15H2,1H3
InChIKeyCCKLYPWYYJJDGZ-UHFFFAOYSA-N
XLogP1.75
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

6-[5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 86679152
2-[4-[[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]acetic acid
CID 177144440
1-methyl-6-(5-piperidin-4-yloxy-3-pyridinyl)-3,4-dihydroquinolin-2-one
CID 89440578
1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146216610
6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride
CID 159930466
6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 89439862
1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 71533333
2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 123991591
6-[5-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 178053818
1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 86297103
1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 86297285
1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146229350

Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 177144415) is 6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(-c3cncc(N4CCN(C5CNC5)CC4)c3)ccc21.
What is the InChIKey of 6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is CCKLYPWYYJJDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-25-21-4-2-16(10-17(21)3-5-22(25)28)18-11-19(13-23-12-18)26-6-8-27(9-7-26)20-14-24-15-20/h2,4,10-13,20,24H,3,5-9,14-15H2,1H3.
What are the key properties of 6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 377.49 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[4-(azetidin-3-yl)piperazin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 177144415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).