5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole

C15H12N4O2 — CID 135433823

IUPAC5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
SMILESCOc1ccc2ncc3[nH]c(-c4cc(C)no4)nc3c2c1
InChIInChI=1S/C15H12N4O2/c1-8-5-13(21-19-8)15-17-12-7-16-11-4-3-9(20-2)6-10(11)14(12)18-15/h3-7H,1-2H3,(H,17,18)
InChIKeyDRFJNMQMBCDIRS-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.08
Rot. Bonds2

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

5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole (PubChem CID 135433823) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
PubChem CID135433823
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
SMILESCOc1ccc2ncc3[nH]c(-c4cc(C)no4)nc3c2c1
InChIInChI=1S/C15H12N4O2/c1-8-5-13(21-19-8)15-17-12-7-16-11-4-3-9(20-2)6-10(11)14(12)18-15/h3-7H,1-2H3,(H,17,18)
InChIKeyDRFJNMQMBCDIRS-UHFFFAOYSA-N
XLogP3.08
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

S-8510
CID 135409387
4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido(4,5-b)indol-7-yl)-3,5-dimethylisoxazole
CID 90395752
2-(3-methylisoxazol-5-yl)-1H-imidazo[4,5-c]quinoline
CID 135417207
3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole
CID 135417206
5-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135490653
3-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135547060
4-(8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole
CID 52934277
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394005
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
CID 59394228
5-[[6-[(Methylamino)methyl]-4-pyrimidinyl]oxy]-N-[5-(1-methylethyl)-3-isoxazolyl]-1H-indole-1-carboxamide
CID 59394319
7-(3,5-dimethyl-4-isoxazolyl)-8-(methyloxy)-1-(2-pyridinylmethyl)-1H-imidazo[4,5-c]quinolin-2-amine
CID 66571282
7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)-1H-imidazo[4,5-c]quinolin-2-amine
CID 66571407

Frequently Asked Questions

What is the IUPAC name of 5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole (CID 135433823) is 5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole is COc1ccc2ncc3[nH]c(-c4cc(C)no4)nc3c2c1.
What is the InChIKey of 5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole?
The InChIKey is DRFJNMQMBCDIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-8-5-13(21-19-8)15-17-12-7-16-11-4-3-9(20-2)6-10(11)14(12)18-15/h3-7H,1-2H3,(H,17,18).
What are the key properties of 5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole?
5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole has a molecular weight of 280.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 135433823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).