2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide

C22H17N5O3 — CID 46979487

IUPAC2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)Nc3ccc4c(c3)OCC(=O)N4)c3ccccc3n2)cn1
InChIInChI=1S/C22H17N5O3/c1-27-11-13(10-23-27)19-9-16(15-4-2-3-5-17(15)25-19)22(29)24-14-6-7-18-20(8-14)30-12-21(28)26-18/h2-11H,12H2,1H3,(H,24,29)(H,26,28)
InChIKeyFWXMXZFDUCAFKV-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.22
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide

2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide (PubChem CID 46979487) has the molecular formula C22H17N5O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide
PubChem CID46979487
Molecular FormulaC22H17N5O3
Molecular Weight399.41 g/mol
Exact Mass399.13
IUPAC Name2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)Nc3ccc4c(c3)OCC(=O)N4)c3ccccc3n2)cn1
InChIInChI=1S/C22H17N5O3/c1-27-11-13(10-23-27)19-9-16(15-4-2-3-5-17(15)25-19)22(29)24-14-6-7-18-20(8-14)30-12-21(28)26-18/h2-11H,12H2,1H3,(H,24,29)(H,26,28)
InChIKeyFWXMXZFDUCAFKV-UHFFFAOYSA-N
XLogP3.22
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide with MolForge

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Related Compounds

N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518467
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide
CID 51207763
8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 46979539
N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512920
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518443
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893267
N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513013

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide (CID 46979487) is 2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide is Cn1cc(-c2cc(C(=O)Nc3ccc4c(c3)OCC(=O)N4)c3ccccc3n2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide?
The InChIKey is FWXMXZFDUCAFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3/c1-27-11-13(10-23-27)19-9-16(15-4-2-3-5-17(15)25-19)22(29)24-14-6-7-18-20(8-14)30-12-21(28)26-18/h2-11H,12H2,1H3,(H,24,29)(H,26,28).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide?
2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46979487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).