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

C22H19N5O2 — CID 162647347

IUPAC2-(aminomethyl)-5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCc1c(-c2ccc3[nH]ncc3c2)ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12
InChIInChI=1S/C22H19N5O2/c1-11-15(12-2-7-17-13(8-12)10-24-26-17)5-6-16-20(11)27(14-3-4-14)22(28)19-21(16)29-18(9-23)25-19/h2,5-8,10,14H,3-4,9,23H2,1H3,(H,24,26)
InChIKeyJEPHRUBKXWKGFQ-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.79
Rot. Bonds3

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

2-(aminomethyl)-5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 162647347) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-(aminomethyl)-5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID162647347
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name2-(aminomethyl)-5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCc1c(-c2ccc3[nH]ncc3c2)ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12
InChIInChI=1S/C22H19N5O2/c1-11-15(12-2-7-17-13(8-12)10-24-26-17)5-6-16-20(11)27(14-3-4-14)22(28)19-21(16)29-18(9-23)25-19/h2,5-8,10,14H,3-4,9,23H2,1H3,(H,24,26)
InChIKeyJEPHRUBKXWKGFQ-UHFFFAOYSA-N
XLogP3.79
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 2-(aminomethyl)-5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 162647347) is 2-(aminomethyl)-5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 2-(aminomethyl)-5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 2-(aminomethyl)-5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one is Cc1c(-c2ccc3[nH]ncc3c2)ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12.
What is the InChIKey of 2-(aminomethyl)-5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is JEPHRUBKXWKGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-11-15(12-2-7-17-13(8-12)10-24-26-17)5-6-16-20(11)27(14-3-4-14)22(28)19-21(16)29-18(9-23)25-19/h2,5-8,10,14H,3-4,9,23H2,1H3,(H,24,26).
What are the key properties of 2-(aminomethyl)-5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
2-(aminomethyl)-5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 385.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 162647347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).