3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine

C21H25N3O2 — CID 144545948

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine
SMILESCOc1cc2c3c(c(N)nc2cc1-c1c(C)noc1C)CCCC(C)C3
InChIInChI=1S/C21H25N3O2/c1-11-6-5-7-14-15(8-11)16-10-19(25-4)17(9-18(16)23-21(14)22)20-12(2)24-26-13(20)3/h9-11H,5-8H2,1-4H3,(H2,22,23)
InChIKeyIUWJMOOPASMZLM-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.61
Rot. Bonds2

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine

3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine (PubChem CID 144545948) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine
PubChem CID144545948
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine
SMILESCOc1cc2c3c(c(N)nc2cc1-c1c(C)noc1C)CCCC(C)C3
InChIInChI=1S/C21H25N3O2/c1-11-6-5-7-14-15(8-11)16-10-19(25-4)17(9-18(16)23-21(14)22)20-12(2)24-26-13(20)3/h9-11H,5-8H2,1-4H3,(H2,22,23)
InChIKeyIUWJMOOPASMZLM-UHFFFAOYSA-N
XLogP4.61
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine 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

3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine
CID 89426764
ethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate
CID 140700753
4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole
CID 144547001
ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 144547349
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 158702341
4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
CID 144820395
2-(3,5-dimethyl-1,2-oxazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62201733
5-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 90395791
4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 166751554
4-N-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
CID 122446120
4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
CID 122446103
1-(cyclohexylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 52935407

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine (CID 144545948) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine is COc1cc2c3c(c(N)nc2cc1-c1c(C)noc1C)CCCC(C)C3.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine?
The InChIKey is IUWJMOOPASMZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-11-6-5-7-14-15(8-11)16-10-19(25-4)17(9-18(16)23-21(14)22)20-12(2)24-26-13(20)3/h9-11H,5-8H2,1-4H3,(H2,22,23).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine has a molecular weight of 351.45 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine is sourced from PubChem (CID 144545948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).