8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide

C24H18N4O3 — CID 46979539

IUPAC8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1cccc2c(C(=O)Nc3ccc4c(c3)OCC(=O)N4)cc(-c3cccnc3)nc12
InChIInChI=1S/C24H18N4O3/c1-14-4-2-6-17-18(11-20(28-23(14)17)15-5-3-9-25-12-15)24(30)26-16-7-8-19-21(10-16)31-13-22(29)27-19/h2-12H,13H2,1H3,(H,26,30)(H,27,29)
InChIKeyIWCJXAATHADSPX-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.19
Rot. Bonds3

About 8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide

8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 46979539) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is 8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID46979539
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1cccc2c(C(=O)Nc3ccc4c(c3)OCC(=O)N4)cc(-c3cccnc3)nc12
InChIInChI=1S/C24H18N4O3/c1-14-4-2-6-17-18(11-20(28-23(14)17)15-5-3-9-25-12-15)24(30)26-16-7-8-19-21(10-16)31-13-22(29)27-19/h2-12H,13H2,1H3,(H,26,30)(H,27,29)
InChIKeyIWCJXAATHADSPX-UHFFFAOYSA-N
XLogP4.19
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide with MolForge

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Related Compounds

N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide
CID 59802648
2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide
CID 46979487
N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899
N-(furan-2-ylmethyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 17373004
N-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 17349145
ethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 17372871
8-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261330
6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide
CID 59802793
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one
CID 71180918
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide
CID 51207763
N-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 17373735
7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 2220481

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 46979539) is 8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide is Cc1cccc2c(C(=O)Nc3ccc4c(c3)OCC(=O)N4)cc(-c3cccnc3)nc12.
What is the InChIKey of 8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is IWCJXAATHADSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c1-14-4-2-6-17-18(11-20(28-23(14)17)15-5-3-9-25-12-15)24(30)26-16-7-8-19-21(10-16)31-13-22(29)27-19/h2-12H,13H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 46979539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).