(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-pyrimidin-2-ylpiperidine-3-carboxylate

C19H20N4O3 — CID 51113442

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-pyrimidin-2-ylpiperidine-3-carboxylate
SMILESO=C1CCc2cc(OC(=O)C3CCCN(c4ncccn4)C3)ccc2N1
InChIInChI=1S/C19H20N4O3/c24-17-7-4-13-11-15(5-6-16(13)22-17)26-18(25)14-3-1-10-23(12-14)19-20-8-2-9-21-19/h2,5-6,8-9,11,14H,1,3-4,7,10,12H2,(H,22,24)
InChIKeySWFXXOXCOWCYTI-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.18
Rot. Bonds3

About (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-pyrimidin-2-ylpiperidine-3-carboxylate

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-pyrimidin-2-ylpiperidine-3-carboxylate (PubChem CID 51113442) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-pyrimidin-2-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-pyrimidin-2-ylpiperidine-3-carboxylate
PubChem CID51113442
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-pyrimidin-2-ylpiperidine-3-carboxylate
SMILESO=C1CCc2cc(OC(=O)C3CCCN(c4ncccn4)C3)ccc2N1
InChIInChI=1S/C19H20N4O3/c24-17-7-4-13-11-15(5-6-16(13)22-17)26-18(25)14-3-1-10-23(12-14)19-20-8-2-9-21-19/h2,5-6,8-9,11,14H,1,3-4,7,10,12H2,(H,22,24)
InChIKeySWFXXOXCOWCYTI-UHFFFAOYSA-N
XLogP2.18
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(4-cyanophenyl)phenyl] 1-pyrimidin-2-ylpiperidine-3-carboxylate
CID 55557204
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 55516736
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
(3S)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 8799638
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 18275651
1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]pyrrolidine-3-carboxylic acid
CID 119355075
6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24652382
6-[4-(3-methylpiperidin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 134005090
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridine-2-carboxylic acid
CID 43325986
(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
CID 7435428
[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (3R)-1-pyrimidin-2-ylpiperidine-3-carboxylate
CID 100851347
6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 119632574

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-pyrimidin-2-ylpiperidine-3-carboxylate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-pyrimidin-2-ylpiperidine-3-carboxylate (CID 51113442) is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-pyrimidin-2-ylpiperidine-3-carboxylate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-pyrimidin-2-ylpiperidine-3-carboxylate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-pyrimidin-2-ylpiperidine-3-carboxylate is O=C1CCc2cc(OC(=O)C3CCCN(c4ncccn4)C3)ccc2N1.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-pyrimidin-2-ylpiperidine-3-carboxylate?
The InChIKey is SWFXXOXCOWCYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-17-7-4-13-11-15(5-6-16(13)22-17)26-18(25)14-3-1-10-23(12-14)19-20-8-2-9-21-19/h2,5-6,8-9,11,14H,1,3-4,7,10,12H2,(H,22,24).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-pyrimidin-2-ylpiperidine-3-carboxylate?
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-pyrimidin-2-ylpiperidine-3-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-pyrimidin-2-ylpiperidine-3-carboxylate is sourced from PubChem (CID 51113442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).