(9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione

C21H17N3O4 — CID 95147338

IUPAC(9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
SMILESCN1C(=O)COc2cc3c(cc21)[C@@H](c1ccc2cccc(O)c2n1)CC(=O)N3
InChIInChI=1S/C21H17N3O4/c1-24-16-7-12-13(14-6-5-11-3-2-4-17(25)21(11)23-14)8-19(26)22-15(12)9-18(16)28-10-20(24)27/h2-7,9,13,25H,8,10H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyOOQKIOCPMCDDAH-ZDUSSCGKSA-N
MW375.38 g/mol
LogP2.77
Rot. Bonds1

About (9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione

(9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione (PubChem CID 95147338) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is (9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione.

Molecular Properties

Compound Name(9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
PubChem CID95147338
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name(9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
SMILESCN1C(=O)COc2cc3c(cc21)[C@@H](c1ccc2cccc(O)c2n1)CC(=O)N3
InChIInChI=1S/C21H17N3O4/c1-24-16-7-12-13(14-6-5-11-3-2-4-17(25)21(11)23-14)8-19(26)22-15(12)9-18(16)28-10-20(24)27/h2-7,9,13,25H,8,10H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyOOQKIOCPMCDDAH-ZDUSSCGKSA-N
XLogP2.77
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
CID 171907621
9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
CID 169420516
N-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide
CID 95119585
(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
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
8-(4-fluoro-2-hydroxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 50948929
methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate
CID 95149140
methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate
CID 50984282
7-hydroxy-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 50958514
(8S)-8-phenyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1252620
8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2964928
7-(1-benzhydryl-3-hydroxy-2-oxoindol-3-yl)-6-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 68597759

Frequently Asked Questions

What is the IUPAC name of (9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione?
The IUPAC name of (9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione (CID 95147338) is (9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione.
What is the SMILES notation for (9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione?
The canonical SMILES for (9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione is CN1C(=O)COc2cc3c(cc21)[C@@H](c1ccc2cccc(O)c2n1)CC(=O)N3.
What is the InChIKey of (9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione?
The InChIKey is OOQKIOCPMCDDAH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-24-16-7-12-13(14-6-5-11-3-2-4-17(25)21(11)23-14)8-19(26)22-15(12)9-18(16)28-10-20(24)27/h2-7,9,13,25H,8,10H2,1H3,(H,22,26)/t13-/m0/s1.
What are the key properties of (9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione?
(9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione has a molecular weight of 375.38 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione is sourced from PubChem (CID 95147338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).