8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide

C20H18N4O3 — CID 166358753

IUPAC8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide
SMILESCc1cccc2cc(C(=O)NCCN3C(=O)COc4ccccc43)nnc12
InChIInChI=1S/C20H18N4O3/c1-13-5-4-6-14-11-15(22-23-19(13)14)20(26)21-9-10-24-16-7-2-3-8-17(16)27-12-18(24)25/h2-8,11H,9-10,12H2,1H3,(H,21,26)
InChIKeyFSQDDAGVLCMCRI-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.09
Rot. Bonds4

About 8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide

8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide (PubChem CID 166358753) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide
PubChem CID166358753
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide
SMILESCc1cccc2cc(C(=O)NCCN3C(=O)COc4ccccc43)nnc12
InChIInChI=1S/C20H18N4O3/c1-13-5-4-6-14-11-15(22-23-19(13)14)20(26)21-9-10-24-16-7-2-3-8-17(16)27-12-18(24)25/h2-8,11H,9-10,12H2,1H3,(H,21,26)
InChIKeyFSQDDAGVLCMCRI-UHFFFAOYSA-N
XLogP2.09
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide
CID 110729840
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide
CID 110729830
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 166358849
5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide
CID 166201804
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 166220908
4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide
CID 167794067
N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191658
(E)-4-(dimethylamino)-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]but-2-enamide
CID 146100935
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78837203
2-(methylamino)-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]acetamide;hydrochloride
CID 119800548
4-(5-hydroxypentyl)-1,4-benzoxazin-3-one
CID 62229355
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 40716730

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide?
The IUPAC name of 8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide (CID 166358753) is 8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide.
What is the SMILES notation for 8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide?
The canonical SMILES for 8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide is Cc1cccc2cc(C(=O)NCCN3C(=O)COc4ccccc43)nnc12.
What is the InChIKey of 8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide?
The InChIKey is FSQDDAGVLCMCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13-5-4-6-14-11-15(22-23-19(13)14)20(26)21-9-10-24-16-7-2-3-8-17(16)27-12-18(24)25/h2-8,11H,9-10,12H2,1H3,(H,21,26).
What are the key properties of 8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide?
8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide is sourced from PubChem (CID 166358753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).