7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one

C19H18FN5O2 — CID 118278468

IUPAC7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one
SMILESCN1C(=O)COc2cc(Nc3cc4c(cc3F)ncn4CC3CC3)ncc21
InChIInChI=1S/C19H18FN5O2/c1-24-16-7-21-18(6-17(16)27-9-19(24)26)23-13-5-15-14(4-12(13)20)22-10-25(15)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,23)
InChIKeyRLGLTVOTSMIYEV-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.08
Rot. Bonds4

About 7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one

7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one (PubChem CID 118278468) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one
PubChem CID118278468
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one
SMILESCN1C(=O)COc2cc(Nc3cc4c(cc3F)ncn4CC3CC3)ncc21
InChIInChI=1S/C19H18FN5O2/c1-24-16-7-21-18(6-17(16)27-9-19(24)26)23-13-5-15-14(4-12(13)20)22-10-25(15)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,23)
InChIKeyRLGLTVOTSMIYEV-UHFFFAOYSA-N
XLogP3.08
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one with MolForge

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Related Compounds

7-[[3-(2-cyclopropylethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
CID 122688076
7-[[3-(cyclopropylmethyl)-6-hydroxybenzimidazol-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
CID 118278454
7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
CID 118278526
7-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 162674433
6-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-1-methyl-3,4-dihydroquinazolin-2-one
CID 118278467
1-(cyclopropylmethyl)-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]benzimidazole-5-carbonitrile
CID 122688193
7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one
CID 122688005
6-chloro-7-[[3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridin-5-yl]amino]-4-(2,2-difluoroethyl)-1,4-benzoxazin-3-one
CID 122688215
7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one
CID 118278509
ethane;8-fluoro-4,9-dimethyl-[1,4]oxazino[3,2-c]quinolin-3-one
CID 145278996
1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole
CID 115761322
2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine
CID 116620895

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one?
The IUPAC name of 7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one (CID 118278468) is 7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one?
The canonical SMILES for 7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one is CN1C(=O)COc2cc(Nc3cc4c(cc3F)ncn4CC3CC3)ncc21.
What is the InChIKey of 7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one?
The InChIKey is RLGLTVOTSMIYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-24-16-7-21-18(6-17(16)27-9-19(24)26)23-13-5-15-14(4-12(13)20)22-10-25(15)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,23).
What are the key properties of 7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one?
7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one has a molecular weight of 367.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 118278468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).