1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one

C22H18N4O3 — CID 155385073

IUPAC1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one
SMILESCC1Oc2nc(N3C(=O)c4ccccc4C3c3cccnc3)ccc2N(C)C1=O
InChIInChI=1S/C22H18N4O3/c1-13-21(27)25(2)17-9-10-18(24-20(17)29-13)26-19(14-6-5-11-23-12-14)15-7-3-4-8-16(15)22(26)28/h3-13,19H,1-2H3
InChIKeyKYDFOYYZAMMSDT-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.97
Rot. Bonds2

About 1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one

1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 155385073) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one
PubChem CID155385073
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one
SMILESCC1Oc2nc(N3C(=O)c4ccccc4C3c3cccnc3)ccc2N(C)C1=O
InChIInChI=1S/C22H18N4O3/c1-13-21(27)25(2)17-9-10-18(24-20(17)29-13)26-19(14-6-5-11-23-12-14)15-7-3-4-8-16(15)22(26)28/h3-13,19H,1-2H3
InChIKeyKYDFOYYZAMMSDT-UHFFFAOYSA-N
XLogP2.97
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one with MolForge

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Related Compounds

(3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one
CID 155394911
(3R)-1,3-dimethyl-6-(4-methylsulfinyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one
CID 139404648
4-cyclopropyl-1-(fluoromethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 139404681
4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 155657861
(3R)-1,3,4-trimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 139404589
4-cyclopropyl-1,3-dimethyl-6-(4-methylsulfonyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 155657858
8-cyclopropyl-5,7-dimethyl-2-(3-oxo-1-phenyl-1H-isoindol-2-yl)-7H-pteridin-6-one;methane
CID 158797544
(7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one
CID 155385071
(2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one
CID 125481336
(3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione
CID 643298
8-cyclopropyl-5,7-dimethyl-2-[3-oxo-1-[4-(trifluoromethyl)phenyl]-1H-isoindol-2-yl]-7H-pteridin-6-one;methane
CID 159374229
7-methyl-2-pyridin-2-yl-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78372607

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one (CID 155385073) is 1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one is CC1Oc2nc(N3C(=O)c4ccccc4C3c3cccnc3)ccc2N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is KYDFOYYZAMMSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-13-21(27)25(2)17-9-10-18(24-20(17)29-13)26-19(14-6-5-11-23-12-14)15-7-3-4-8-16(15)22(26)28/h3-13,19H,1-2H3.
What are the key properties of 1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one?
1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 386.41 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 155385073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).