N-(4-cyclopropyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)quinoxaline-2-carboxamide

C22H20N4O3 — CID 42804142

IUPACN-(4-cyclopropyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)quinoxaline-2-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3cnc4ccccc4n3)cc2CN(C2CC2)C1=O
InChIInChI=1S/C22H20N4O3/c1-13-22(28)26(16-7-8-16)12-14-10-15(6-9-20(14)29-13)24-21(27)19-11-23-17-4-2-3-5-18(17)25-19/h2-6,9-11,13,16H,7-8,12H2,1H3,(H,24,27)
InChIKeyHZNCBGDPGZJKIR-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.15
Rot. Bonds3

About N-(4-cyclopropyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)quinoxaline-2-carboxamide

N-(4-cyclopropyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)quinoxaline-2-carboxamide (PubChem CID 42804142) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-(4-cyclopropyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)quinoxaline-2-carboxamide
PubChem CID42804142
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-(4-cyclopropyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)quinoxaline-2-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3cnc4ccccc4n3)cc2CN(C2CC2)C1=O
InChIInChI=1S/C22H20N4O3/c1-13-22(28)26(16-7-8-16)12-14-10-15(6-9-20(14)29-13)24-21(27)19-11-23-17-4-2-3-5-18(17)25-19/h2-6,9-11,13,16H,7-8,12H2,1H3,(H,24,27)
InChIKeyHZNCBGDPGZJKIR-UHFFFAOYSA-N
XLogP3.15
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[6-(2-morpholin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide
CID 124087800
N-[2-(4-methoxyphenyl)ethyl]-2-quinoxalinecarboxamide
CID 9265057
[2-Oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
CID 2338227
N-[6-[2-(dimethylamino)ethoxy]quinolin-8-yl]-5-methylpyrazine-2-carboxamide
CID 124087805
N-[6-(2-morpholin-4-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide
CID 124087817
N-[6-[2-(dimethylamino)ethoxy]quinolin-8-yl]pyrazine-2-carboxamide
CID 124087801
N-[6-(2-aminoethoxy)quinolin-8-yl]-5-methylpyrazine-2-carboxamide
CID 124087806
N,N-Dimethyl-4-(pyrazine-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine
CID 124073092
N-[2-(2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]quinoxaline-5-carboxamide
CID 45167013
N-[6-(2-piperidin-1-ylethoxy)quinolin-8-yl]pyrazine-2-carboxamide
CID 168272774
N-((1-(2-phenoxyacetyl)piperidin-4-yl)methyl)quinoxaline-2-carboxamide
CID 49688522
N-methyl-3-[(2R)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-(quinoxalin-6-ylmethyl)propanamide
CID 26344953

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-(4-cyclopropyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)quinoxaline-2-carboxamide (CID 42804142) is N-(4-cyclopropyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)quinoxaline-2-carboxamide is CC1Oc2ccc(NC(=O)c3cnc4ccccc4n3)cc2CN(C2CC2)C1=O.
What is the InChIKey of N-(4-cyclopropyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)quinoxaline-2-carboxamide?
The InChIKey is HZNCBGDPGZJKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-13-22(28)26(16-7-8-16)12-14-10-15(6-9-20(14)29-13)24-21(27)19-11-23-17-4-2-3-5-18(17)25-19/h2-6,9-11,13,16H,7-8,12H2,1H3,(H,24,27).
What are the key properties of N-(4-cyclopropyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)quinoxaline-2-carboxamide?
N-(4-cyclopropyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)quinoxaline-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 42804142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).