4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one

C20H19N3O3 — CID 170506971

IUPAC4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1CCc2oc(C3CCC3)nc2C1
InChIInChI=1S/C20H19N3O3/c24-18-10-14(13-6-1-2-7-15(13)21-18)20(25)23-9-8-17-16(11-23)22-19(26-17)12-4-3-5-12/h1-2,6-7,10,12H,3-5,8-9,11H2,(H,21,24)
InChIKeyHDOZHVCWNZNOGV-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.98
Rot. Bonds2

About 4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one

4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one (PubChem CID 170506971) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one
PubChem CID170506971
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1CCc2oc(C3CCC3)nc2C1
InChIInChI=1S/C20H19N3O3/c24-18-10-14(13-6-1-2-7-15(13)21-18)20(25)23-9-8-17-16(11-23)22-19(26-17)12-4-3-5-12/h1-2,6-7,10,12H,3-5,8-9,11H2,(H,21,24)
InChIKeyHDOZHVCWNZNOGV-UHFFFAOYSA-N
XLogP2.98
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one with MolForge

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Related Compounds

6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one
CID 170505632
4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 94570308
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 47061013
5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 170505077
6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 169422207
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-phenylphenyl)methanone
CID 169411084
1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-hydroxy-2-phenylpropan-1-one
CID 170506642
4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 95759127
4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile
CID 47086841
4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one
CID 72892217
4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1H-quinolin-2-one
CID 155963104

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one (CID 170506971) is 4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one is O=C(c1cc(=O)[nH]c2ccccc12)N1CCc2oc(C3CCC3)nc2C1.
What is the InChIKey of 4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one?
The InChIKey is HDOZHVCWNZNOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-18-10-14(13-6-1-2-7-15(13)21-18)20(25)23-9-8-17-16(11-23)22-19(26-17)12-4-3-5-12/h1-2,6-7,10,12H,3-5,8-9,11H2,(H,21,24).
What are the key properties of 4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one?
4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one has a molecular weight of 349.39 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 170506971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).