3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline

C11H12N2O — CID 15105634

IUPAC3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline
SMILESCc1noc2cc3c(nc12)CCCC3
InChIInChI=1S/C11H12N2O/c1-7-11-10(14-13-7)6-8-4-2-3-5-9(8)12-11/h6H,2-5H2,1H3
InChIKeyBVYKUBGBCSFNTI-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.41
Rot. Bonds

About 3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline

3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline (PubChem CID 15105634) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline
PubChem CID15105634
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline
SMILESCc1noc2cc3c(nc12)CCCC3
InChIInChI=1S/C11H12N2O/c1-7-11-10(14-13-7)6-8-4-2-3-5-9(8)12-11/h6H,2-5H2,1H3
InChIKeyBVYKUBGBCSFNTI-UHFFFAOYSA-N
XLogP2.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 20824284
2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline
CID 10105092
1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline
CID 1473509
2-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)propan-2-amine
CID 82452293
N-methyl-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)methanamine
CID 82452273
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 78830929
2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde
CID 82415425
1-methoxy-5,6,7,8-tetrahydroacridin-4-amine
CID 54268176
ethane;3-methyl-5,6,7,8-tetrahydrocinnoline
CID 176717878
5,6,7,8-tetrahydroquinoline-2,3-diamine
CID 23122564
1,2-dimethyl-5,6,7,8-tetrahydroimidazo[4,5-b]quinoline
CID 10845754
(3-methyl-[1,2]oxazolo[4,5-b]pyridin-5-yl)hydrazine
CID 12793492

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline (CID 15105634) is 3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline is Cc1noc2cc3c(nc12)CCCC3.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline?
The InChIKey is BVYKUBGBCSFNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-11-10(14-13-7)6-8-4-2-3-5-9(8)12-11/h6H,2-5H2,1H3.
What are the key properties of 3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline?
3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline has a molecular weight of 188.23 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline is sourced from PubChem (CID 15105634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).