3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole

C14H14N4O — CID 135456681

IUPAC3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
SMILESCc1cc(-c2nc3c4c(ncc3[nH]2)CCCC4)on1
InChIInChI=1S/C14H14N4O/c1-8-6-12(19-18-8)14-16-11-7-15-10-5-3-2-4-9(10)13(11)17-14/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyMUBLADSQWNSSNU-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.80
Rot. Bonds1

About 3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole

3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole (PubChem CID 135456681) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
PubChem CID135456681
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
SMILESCc1cc(-c2nc3c4c(ncc3[nH]2)CCCC4)on1
InChIInChI=1S/C14H14N4O/c1-8-6-12(19-18-8)14-16-11-7-15-10-5-3-2-4-9(10)13(11)17-14/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyMUBLADSQWNSSNU-UHFFFAOYSA-N
XLogP2.80
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole (CID 135456681) is 3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole is Cc1cc(-c2nc3c4c(ncc3[nH]2)CCCC4)on1.
What is the InChIKey of 3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The InChIKey is MUBLADSQWNSSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8-6-12(19-18-8)14-16-11-7-15-10-5-3-2-4-9(10)13(11)17-14/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole has a molecular weight of 254.29 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole is sourced from PubChem (CID 135456681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).