7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline

C14H13N3 — CID 90181938

IUPAC7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline
SMILESCc1ccc2cc(-c3cnc(C)[nH]3)cnc2c1
InChIInChI=1S/C14H13N3/c1-9-3-4-11-6-12(7-16-13(11)5-9)14-8-15-10(2)17-14/h3-8H,1-2H3,(H,15,17)
InChIKeyBXKBGJOKUDZXHC-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.24
Rot. Bonds1

About 7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline

7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline (PubChem CID 90181938) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline.

Molecular Properties

Compound Name7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline
PubChem CID90181938
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline
SMILESCc1ccc2cc(-c3cnc(C)[nH]3)cnc2c1
InChIInChI=1S/C14H13N3/c1-9-3-4-11-6-12(7-16-13(11)5-9)14-8-15-10(2)17-14/h3-8H,1-2H3,(H,15,17)
InChIKeyBXKBGJOKUDZXHC-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline?
The IUPAC name of 7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline (CID 90181938) is 7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline.
What is the SMILES notation for 7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline?
The canonical SMILES for 7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline is Cc1ccc2cc(-c3cnc(C)[nH]3)cnc2c1.
What is the InChIKey of 7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline?
The InChIKey is BXKBGJOKUDZXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-9-3-4-11-6-12(7-16-13(11)5-9)14-8-15-10(2)17-14/h3-8H,1-2H3,(H,15,17).
What are the key properties of 7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline?
7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline has a molecular weight of 223.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline is sourced from PubChem (CID 90181938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).