7-(2-amino-3H-benzimidazol-5-yl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one

C21H17N5O2 — CID 126696619

IUPAC7-(2-amino-3H-benzimidazol-5-yl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCc1c(-c2ccc3nc(N)[nH]c3c2)ccc2c3ocnc3c(=O)n(C3CC3)c12
InChIInChI=1S/C21H17N5O2/c1-10-13(11-2-7-15-16(8-11)25-21(22)24-15)5-6-14-18(10)26(12-3-4-12)20(27)17-19(14)28-9-23-17/h2,5-9,12H,3-4H2,1H3,(H3,22,24,25)
InChIKeyATGHBWSNPKEPRY-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.91
Rot. Bonds2

About 7-(2-amino-3H-benzimidazol-5-yl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one

7-(2-amino-3H-benzimidazol-5-yl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 126696619) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 7-(2-amino-3H-benzimidazol-5-yl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-(2-amino-3H-benzimidazol-5-yl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID126696619
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name7-(2-amino-3H-benzimidazol-5-yl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCc1c(-c2ccc3nc(N)[nH]c3c2)ccc2c3ocnc3c(=O)n(C3CC3)c12
InChIInChI=1S/C21H17N5O2/c1-10-13(11-2-7-15-16(8-11)25-21(22)24-15)5-6-14-18(10)26(12-3-4-12)20(27)17-19(14)28-9-23-17/h2,5-9,12H,3-4H2,1H3,(H3,22,24,25)
InChIKeyATGHBWSNPKEPRY-UHFFFAOYSA-N
XLogP3.91
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126717286
2-amino-5-(5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)benzonitrile
CID 162666616
7-[4-(aminomethyl)-3-fluorophenyl]-5-cyclopropyl-2,6-dimethyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126717435
5-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-methyl-2-(3-methylpyrrolidin-1-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126698081
2-amino-5-[5-cyclopropyl-6-methyl-4-oxo-2-[(3S)-pyrrolidin-3-yl]-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile
CID 126697888
5-cyclopropyl-6-methyl-4-oxo-7-phenyl-[1,3]oxazolo[4,5-c]quinoline-2-carboxylic acid
CID 126698056
2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile
CID 126716558
5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126717503
(2S)-6-(4-amino-2,5-difluorophenyl)-2-methyl-4,11-dioxa-1,13-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5,7,9(16),10(14),12-pentaen-15-one
CID 126717558
7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126717312
7-(4-amino-2,5-difluorophenyl)-2-(2-aminoethyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126697869
7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126697950

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-3H-benzimidazol-5-yl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-(2-amino-3H-benzimidazol-5-yl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 126696619) is 7-(2-amino-3H-benzimidazol-5-yl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-(2-amino-3H-benzimidazol-5-yl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-(2-amino-3H-benzimidazol-5-yl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one is Cc1c(-c2ccc3nc(N)[nH]c3c2)ccc2c3ocnc3c(=O)n(C3CC3)c12.
What is the InChIKey of 7-(2-amino-3H-benzimidazol-5-yl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is ATGHBWSNPKEPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-10-13(11-2-7-15-16(8-11)25-21(22)24-15)5-6-14-18(10)26(12-3-4-12)20(27)17-19(14)28-9-23-17/h2,5-9,12H,3-4H2,1H3,(H3,22,24,25).
What are the key properties of 7-(2-amino-3H-benzimidazol-5-yl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
7-(2-amino-3H-benzimidazol-5-yl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 371.40 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-3H-benzimidazol-5-yl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 126696619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).