4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one

C19H16N2O4 — CID 99827036

IUPAC4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one
SMILESCc1c(C(=O)N2C[C@H](C)Oc3ncccc32)c(=O)oc2ccccc12
InChIInChI=1S/C19H16N2O4/c1-11-10-21(14-7-5-9-20-17(14)24-11)18(22)16-12(2)13-6-3-4-8-15(13)25-19(16)23/h3-9,11H,10H2,1-2H3/t11-/m0/s1
InChIKeyNCCBGWYOAJWIJI-NSHDSACASA-N
MW336.35 g/mol
LogP2.92
Rot. Bonds1

About 4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one

4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one (PubChem CID 99827036) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one.

Molecular Properties

Compound Name4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one
PubChem CID99827036
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one
SMILESCc1c(C(=O)N2C[C@H](C)Oc3ncccc32)c(=O)oc2ccccc12
InChIInChI=1S/C19H16N2O4/c1-11-10-21(14-7-5-9-20-17(14)24-11)18(22)16-12(2)13-6-3-4-8-15(13)25-19(16)23/h3-9,11H,10H2,1-2H3/t11-/m0/s1
InChIKeyNCCBGWYOAJWIJI-NSHDSACASA-N
XLogP2.92
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone
CID 97094755
(5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
CID 75469676
(5-bromo-1-benzofuran-2-yl)-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]methanone
CID 97326298
3-(9-hydroxy-3-azabicyclo[3.3.1]nonane-3-carbonyl)-4-methylchromen-2-one
CID 86778555
3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride
CID 119375931
4-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]chromen-2-one
CID 119397937
1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
CID 150405091
(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone
CID 138037556
N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide
CID 119477940
N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
CID 119477939
N-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide
CID 71972513
(2,5-dimethyl-1,3-oxazol-4-yl)-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 122156375

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one?
The IUPAC name of 4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one (CID 99827036) is 4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one.
What is the SMILES notation for 4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one?
The canonical SMILES for 4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one is Cc1c(C(=O)N2C[C@H](C)Oc3ncccc32)c(=O)oc2ccccc12.
What is the InChIKey of 4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one?
The InChIKey is NCCBGWYOAJWIJI-NSHDSACASA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11-10-21(14-7-5-9-20-17(14)24-11)18(22)16-12(2)13-6-3-4-8-15(13)25-19(16)23/h3-9,11H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one?
4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one has a molecular weight of 336.35 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one is sourced from PubChem (CID 99827036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).