8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide

C26H23ClN6O3 — CID 155355679

IUPAC8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide
SMILESO=C(NN1CCOc2ccccc21)c1cnc2c(-c3cncc(Cl)n3)cccc2c1N1CCOCC1
InChIInChI=1S/C26H23ClN6O3/c27-23-16-28-15-20(30-23)17-4-3-5-18-24(17)29-14-19(25(18)32-8-11-35-12-9-32)26(34)31-33-10-13-36-22-7-2-1-6-21(22)33/h1-7,14-16H,8-13H2,(H,31,34)
InChIKeyYSINKOLQCOQXPT-UHFFFAOYSA-N
MW502.96 g/mol
LogP3.73
Rot. Bonds4

About 8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide

8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide (PubChem CID 155355679) has the molecular formula C26H23ClN6O3 and a molecular weight of 502.96 g/mol. Its IUPAC name is 8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide
PubChem CID155355679
Molecular FormulaC26H23ClN6O3
Molecular Weight502.96 g/mol
Exact Mass502.15
IUPAC Name8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide
SMILESO=C(NN1CCOc2ccccc21)c1cnc2c(-c3cncc(Cl)n3)cccc2c1N1CCOCC1
InChIInChI=1S/C26H23ClN6O3/c27-23-16-28-15-20(30-23)17-4-3-5-18-24(17)29-14-19(25(18)32-8-11-35-12-9-32)26(34)31-33-10-13-36-22-7-2-1-6-21(22)33/h1-7,14-16H,8-13H2,(H,31,34)
InChIKeyYSINKOLQCOQXPT-UHFFFAOYSA-N
XLogP3.73
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.96
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide;molecular hydrogen
CID 163389150
N-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
CID 155355669
8-amino-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylimidazo[1,5-a]pyrimidine-3-carboxamide
CID 167079286
4-(3,4-difluoropyrrolidin-1-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-7-fluoro-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
CID 169227473
4-(azetidin-1-yl)-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134511570
N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide
CID 155355625
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-yl-1,5-naphthyridine-3-carboxamide
CID 137372253
N-(2,3-dihydro-1,4-benzoxazin-4-yl)-7-fluoro-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
CID 175737841
8-chloro-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 39732450
4-(2,3-dichlorophenyl)-8-morpholin-4-ylpyrido[3,2-c]pyridazine-7-carboxamide
CID 137391310
4-anilino-8-morpholin-4-ylquinoline-3-carboxylate
CID 7719257
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504338

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide?
The IUPAC name of 8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide (CID 155355679) is 8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide.
What is the SMILES notation for 8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide?
The canonical SMILES for 8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide is O=C(NN1CCOc2ccccc21)c1cnc2c(-c3cncc(Cl)n3)cccc2c1N1CCOCC1.
What is the InChIKey of 8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide?
The InChIKey is YSINKOLQCOQXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O3/c27-23-16-28-15-20(30-23)17-4-3-5-18-24(17)29-14-19(25(18)32-8-11-35-12-9-32)26(34)31-33-10-13-36-22-7-2-1-6-21(22)33/h1-7,14-16H,8-13H2,(H,31,34).
What are the key properties of 8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide?
8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide has a molecular weight of 502.96 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide is sourced from PubChem (CID 155355679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).