N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide

C21H19N3O3 — CID 51207763

IUPACN-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c2ccccc2n1
InChIInChI=1S/C21H19N3O3/c1-12(2)17-10-15(14-5-3-4-6-16(14)23-17)21(26)22-13-7-8-19-18(9-13)24-20(25)11-27-19/h3-10,12H,11H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyIFJMKEHDGOBAAI-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.94
Rot. Bonds3

About N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide (PubChem CID 51207763) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide
PubChem CID51207763
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c2ccccc2n1
InChIInChI=1S/C21H19N3O3/c1-12(2)17-10-15(14-5-3-4-6-16(14)23-17)21(26)22-13-7-8-19-18(9-13)24-20(25)11-27-19/h3-10,12H,11H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyIFJMKEHDGOBAAI-UHFFFAOYSA-N
XLogP3.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide
CID 46979487
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide
CID 31020420
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-propan-2-ylquinoline-4-carboxamide
CID 18198200
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide
CID 24671603
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 32974831
N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 78823331
2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide
CID 24515939
1-(4-fluorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31993797
N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 36823243
4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 51207749

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide (CID 51207763) is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide is CC(C)c1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c2ccccc2n1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide?
The InChIKey is IFJMKEHDGOBAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-12(2)17-10-15(14-5-3-4-6-16(14)23-17)21(26)22-13-7-8-19-18(9-13)24-20(25)11-27-19/h3-10,12H,11H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide?
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 51207763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).