(9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione

C19H16N4O3S — CID 95144264

IUPAC(9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione
SMILESCCN1C(=O)COc2cc3c(cc21)NC(=O)C[C@H]3c1cccc2nsnc12
InChIInChI=1S/C19H16N4O3S/c1-2-23-15-8-14-12(6-16(15)26-9-18(23)25)11(7-17(24)20-14)10-4-3-5-13-19(10)22-27-21-13/h3-6,8,11H,2,7,9H2,1H3,(H,20,24)/t11-/m0/s1
InChIKeyMCDMPIMHTLPBEY-NSHDSACASA-N
MW380.43 g/mol
LogP2.91
Rot. Bonds2

About (9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione

(9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione (PubChem CID 95144264) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is (9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione.

Molecular Properties

Compound Name(9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione
PubChem CID95144264
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name(9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione
SMILESCCN1C(=O)COc2cc3c(cc21)NC(=O)C[C@H]3c1cccc2nsnc12
InChIInChI=1S/C19H16N4O3S/c1-2-23-15-8-14-12(6-16(15)26-9-18(23)25)11(7-17(24)20-14)10-4-3-5-13-19(10)22-27-21-13/h3-6,8,11H,2,7,9H2,1H3,(H,20,24)/t11-/m0/s1
InChIKeyMCDMPIMHTLPBEY-NSHDSACASA-N
XLogP2.91
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione with MolForge

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Launch Full Analysis

Related Compounds

N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide
CID 95147744
5-[(9R)-1-ethyl-2,7-dioxo-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazin-9-yl]thiophene-2-carboxylic acid
CID 95130394
9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
CID 171907621
(9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
CID 95147338
(4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737748
(4S)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737749
9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one
CID 135636472
8-(2,1,3-benzothiadiazol-4-yl)-2-pyrrolidin-1-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-6-one
CID 50967171
(8R)-8-(2,1,3-benzothiadiazol-4-yl)-2-pyrrolidin-1-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-6-one
CID 95129561
(9S)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one
CID 136811438
4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063398
9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
CID 169420516

Frequently Asked Questions

What is the IUPAC name of (9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione?
The IUPAC name of (9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione (CID 95144264) is (9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione.
What is the SMILES notation for (9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione?
The canonical SMILES for (9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione is CCN1C(=O)COc2cc3c(cc21)NC(=O)C[C@H]3c1cccc2nsnc12.
What is the InChIKey of (9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione?
The InChIKey is MCDMPIMHTLPBEY-NSHDSACASA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-2-23-15-8-14-12(6-16(15)26-9-18(23)25)11(7-17(24)20-14)10-4-3-5-13-19(10)22-27-21-13/h3-6,8,11H,2,7,9H2,1H3,(H,20,24)/t11-/m0/s1.
What are the key properties of (9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione?
(9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione has a molecular weight of 380.43 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione is sourced from PubChem (CID 95144264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).