5-(3H-imidazo[4,5-c]pyridin-2-yl)-8-methoxy-2-methylquinoline

C17H14N4O — CID 18783998

IUPAC5-(3H-imidazo[4,5-c]pyridin-2-yl)-8-methoxy-2-methylquinoline
SMILESCOc1ccc(-c2nc3ccncc3[nH]2)c2ccc(C)nc12
InChIInChI=1S/C17H14N4O/c1-10-3-4-11-12(5-6-15(22-2)16(11)19-10)17-20-13-7-8-18-9-14(13)21-17/h3-9H,1-2H3,(H,20,21)
InChIKeyOOAGZITVPQUHTC-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.49
Rot. Bonds2

About 5-(3H-imidazo[4,5-c]pyridin-2-yl)-8-methoxy-2-methylquinoline

5-(3H-imidazo[4,5-c]pyridin-2-yl)-8-methoxy-2-methylquinoline (PubChem CID 18783998) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-(3H-imidazo[4,5-c]pyridin-2-yl)-8-methoxy-2-methylquinoline.

Molecular Properties

Compound Name5-(3H-imidazo[4,5-c]pyridin-2-yl)-8-methoxy-2-methylquinoline
PubChem CID18783998
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name5-(3H-imidazo[4,5-c]pyridin-2-yl)-8-methoxy-2-methylquinoline
SMILESCOc1ccc(-c2nc3ccncc3[nH]2)c2ccc(C)nc12
InChIInChI=1S/C17H14N4O/c1-10-3-4-11-12(5-6-15(22-2)16(11)19-10)17-20-13-7-8-18-9-14(13)21-17/h3-9H,1-2H3,(H,20,21)
InChIKeyOOAGZITVPQUHTC-UHFFFAOYSA-N
XLogP3.49
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
N8-[(2S)-3,3-dimethylbutan-2-yl]-N2-[2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386882
N2-(2-Methoxy-4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl)-N8-Neopentylpyrido[3,4-D]pyrimidine-2,8-Diamine
CID 73387064
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 73386768
8-N-cyclohexyl-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386878
2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 122195227
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234673
7-[(4-methoxyphenyl)-methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 23332045

Frequently Asked Questions

What is the IUPAC name of 5-(3H-imidazo[4,5-c]pyridin-2-yl)-8-methoxy-2-methylquinoline?
The IUPAC name of 5-(3H-imidazo[4,5-c]pyridin-2-yl)-8-methoxy-2-methylquinoline (CID 18783998) is 5-(3H-imidazo[4,5-c]pyridin-2-yl)-8-methoxy-2-methylquinoline.
What is the SMILES notation for 5-(3H-imidazo[4,5-c]pyridin-2-yl)-8-methoxy-2-methylquinoline?
The canonical SMILES for 5-(3H-imidazo[4,5-c]pyridin-2-yl)-8-methoxy-2-methylquinoline is COc1ccc(-c2nc3ccncc3[nH]2)c2ccc(C)nc12.
What is the InChIKey of 5-(3H-imidazo[4,5-c]pyridin-2-yl)-8-methoxy-2-methylquinoline?
The InChIKey is OOAGZITVPQUHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-10-3-4-11-12(5-6-15(22-2)16(11)19-10)17-20-13-7-8-18-9-14(13)21-17/h3-9H,1-2H3,(H,20,21).
What are the key properties of 5-(3H-imidazo[4,5-c]pyridin-2-yl)-8-methoxy-2-methylquinoline?
5-(3H-imidazo[4,5-c]pyridin-2-yl)-8-methoxy-2-methylquinoline has a molecular weight of 290.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-imidazo[4,5-c]pyridin-2-yl)-8-methoxy-2-methylquinoline is sourced from PubChem (CID 18783998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).