2-methyl-[1,3]oxazolo[5,4-c]isoquinoline

C11H8N2O — CID 11217636

IUPAC2-methyl-[1,3]oxazolo[5,4-c]isoquinoline
SMILESCc1nc2c(ncc3ccccc32)o1
InChIInChI=1S/C11H8N2O/c1-7-13-10-9-5-3-2-4-8(9)6-12-11(10)14-7/h2-6H,1H3
InChIKeyAKBGGRUWHSQUCT-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.68
Rot. Bonds

About 2-methyl-[1,3]oxazolo[5,4-c]isoquinoline

2-methyl-[1,3]oxazolo[5,4-c]isoquinoline (PubChem CID 11217636) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-methyl-[1,3]oxazolo[5,4-c]isoquinoline.

Molecular Properties

Compound Name2-methyl-[1,3]oxazolo[5,4-c]isoquinoline
PubChem CID11217636
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2-methyl-[1,3]oxazolo[5,4-c]isoquinoline
SMILESCc1nc2c(ncc3ccccc32)o1
InChIInChI=1S/C11H8N2O/c1-7-13-10-9-5-3-2-4-8(9)6-12-11(10)14-7/h2-6H,1H3
InChIKeyAKBGGRUWHSQUCT-UHFFFAOYSA-N
XLogP2.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylbenzo[h]quinazoline
CID 15811350
1,4-dimethylphenanthridine
CID 122403892
9,10-dimethyl-[1]benzofuro[3,2-c]phenanthridine
CID 167697505
4-methylsulfanylphenanthridine
CID 56651512
ethane;4-methylisoquinolin-3-amine
CID 145004950
N-chloro-3-methylisoquinolin-4-amine
CID 87713222
pyrimido[5,4-c]isoquinoline
CID 121477072
phenanthridine
CID 9189
2-methylphenanthridine
CID 14384826
phenanthridine;platinum(2+)
CID 23616726
2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one
CID 102596896
3-ethylbenzo[c][1,5]naphthyridine
CID 129310998

Frequently Asked Questions

What is the IUPAC name of 2-methyl-[1,3]oxazolo[5,4-c]isoquinoline?
The IUPAC name of 2-methyl-[1,3]oxazolo[5,4-c]isoquinoline (CID 11217636) is 2-methyl-[1,3]oxazolo[5,4-c]isoquinoline.
What is the SMILES notation for 2-methyl-[1,3]oxazolo[5,4-c]isoquinoline?
The canonical SMILES for 2-methyl-[1,3]oxazolo[5,4-c]isoquinoline is Cc1nc2c(ncc3ccccc32)o1.
What is the InChIKey of 2-methyl-[1,3]oxazolo[5,4-c]isoquinoline?
The InChIKey is AKBGGRUWHSQUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-7-13-10-9-5-3-2-4-8(9)6-12-11(10)14-7/h2-6H,1H3.
What are the key properties of 2-methyl-[1,3]oxazolo[5,4-c]isoquinoline?
2-methyl-[1,3]oxazolo[5,4-c]isoquinoline has a molecular weight of 184.20 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-[1,3]oxazolo[5,4-c]isoquinoline is sourced from PubChem (CID 11217636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).