4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole

C17H14ClN3O2 — CID 90387467

IUPAC4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(Cl)c12
InChIInChI=1S/C17H14ClN3O2/c1-8-15(9(2)23-21-8)11-6-13-10(7-14(11)22-3)16-12(20-13)4-5-19-17(16)18/h4-7,20H,1-3H3
InChIKeyHQWHFYOMOHBRTB-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.65
Rot. Bonds2

About 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole

4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 90387467) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID90387467
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(Cl)c12
InChIInChI=1S/C17H14ClN3O2/c1-8-15(9(2)23-21-8)11-6-13-10(7-14(11)22-3)16-12(20-13)4-5-19-17(16)18/h4-7,20H,1-3H3
InChIKeyHQWHFYOMOHBRTB-UHFFFAOYSA-N
XLogP4.65
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

I-Bet151
CID 52912189
4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido(4,5-b)indol-7-yl)-3,5-dimethylisoxazole
CID 90395752
1-(3-Cyclopropyl-5-Methyl-1h-Pyrazol-4-Yl)-7-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-8-Methoxy-5h-Pyrido[4,3-B]indole
CID 77846025
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 52932634
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 52934039
7-(3,5-dimethyl-4-isoxazolyl)-8-(methyloxy)-1-[(1S)-1-(2-pyridinyl)ethyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one
CID 52934275
7-(3,5-Dimethyl-4-isoxazolyl)-8-(methyloxy)-1-[(1R)-1-phenylethyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one
CID 52935183
4-(2-Tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxylic acid
CID 67207922
7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluorophenyl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 68204735
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-phenylpropyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 70664065
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 70664240
1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 70691699

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (CID 90387467) is 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(Cl)c12.
What is the InChIKey of 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is HQWHFYOMOHBRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-8-15(9(2)23-21-8)11-6-13-10(7-14(11)22-3)16-12(20-13)4-5-19-17(16)18/h4-7,20H,1-3H3.
What are the key properties of 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 327.77 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90387467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).