4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole

C21H17N5O — CID 70664302

IUPAC4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2c(c1)ncc1nnn(Cc3ccccc3)c12
InChIInChI=1S/C21H17N5O/c1-13-20(14(2)27-24-13)16-8-9-17-18(10-16)22-11-19-21(17)26(25-23-19)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyBSCWWTYDHQHSFI-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.30
Rot. Bonds3

About 4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole

4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 70664302) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID70664302
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2c(c1)ncc1nnn(Cc3ccccc3)c12
InChIInChI=1S/C21H17N5O/c1-13-20(14(2)27-24-13)16-8-9-17-18(10-16)22-11-19-21(17)26(25-23-19)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyBSCWWTYDHQHSFI-UHFFFAOYSA-N
XLogP4.30
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole (CID 70664302) is 4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc2c(c1)ncc1nnn(Cc3ccccc3)c12.
What is the InChIKey of 4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is BSCWWTYDHQHSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-13-20(14(2)27-24-13)16-8-9-17-18(10-16)22-11-19-21(17)26(25-23-19)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3.
What are the key properties of 4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole?
4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 355.40 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 70664302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).