N-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide

C21H21N5O5S — CID 86294352

IUPACN-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2ccc3nc(N)c4c(c3c2)OCC(=O)N4C)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C21H21N5O5S/c1-26-17(27)10-31-19-14-7-11(3-6-15(14)24-20(22)18(19)26)12-8-16(21(30-2)23-9-12)25-32(28,29)13-4-5-13/h3,6-9,13,25H,4-5,10H2,1-2H3,(H2,22,24)
InChIKeyBITHGUCYRPGWDD-UHFFFAOYSA-N
MW455.50 g/mol
LogP2.15
Rot. Bonds5

About N-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide

N-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 86294352) has the molecular formula C21H21N5O5S and a molecular weight of 455.50 g/mol. Its IUPAC name is N-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
PubChem CID86294352
Molecular FormulaC21H21N5O5S
Molecular Weight455.50 g/mol
Exact Mass455.13
IUPAC NameN-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2ccc3nc(N)c4c(c3c2)OCC(=O)N4C)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C21H21N5O5S/c1-26-17(27)10-31-19-14-7-11(3-6-15(14)24-20(22)18(19)26)12-8-16(21(30-2)23-9-12)25-32(28,29)13-4-5-13/h3,6-9,13,25H,4-5,10H2,1-2H3,(H2,22,24)
InChIKeyBITHGUCYRPGWDD-UHFFFAOYSA-N
XLogP2.15
TPSA136.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (CID 86294352) is N-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is COc1ncc(-c2ccc3nc(N)c4c(c3c2)OCC(=O)N4C)cc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is BITHGUCYRPGWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O5S/c1-26-17(27)10-31-19-14-7-11(3-6-15(14)24-20(22)18(19)26)12-8-16(21(30-2)23-9-12)25-32(28,29)13-4-5-13/h3,6-9,13,25H,4-5,10H2,1-2H3,(H2,22,24).
What are the key properties of N-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
N-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 455.50 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 86294352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).