methyl N-[6-methyl-2-(1-methylimidazol-2-yl)quinolin-4-yl]carbamate

C16H16N4O2 — CID 10685351

IUPACmethyl N-[6-methyl-2-(1-methylimidazol-2-yl)quinolin-4-yl]carbamate
SMILESCOC(=O)Nc1cc(-c2nccn2C)nc2ccc(C)cc12
InChIInChI=1S/C16H16N4O2/c1-10-4-5-12-11(8-10)13(19-16(21)22-3)9-14(18-12)15-17-6-7-20(15)2/h4-9H,1-3H3,(H,18,19,21)
InChIKeyMIGMIGHZJOFYGX-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.12
Rot. Bonds2

About methyl N-[6-methyl-2-(1-methylimidazol-2-yl)quinolin-4-yl]carbamate

methyl N-[6-methyl-2-(1-methylimidazol-2-yl)quinolin-4-yl]carbamate (PubChem CID 10685351) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl N-[6-methyl-2-(1-methylimidazol-2-yl)quinolin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-methyl-2-(1-methylimidazol-2-yl)quinolin-4-yl]carbamate
PubChem CID10685351
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Namemethyl N-[6-methyl-2-(1-methylimidazol-2-yl)quinolin-4-yl]carbamate
SMILESCOC(=O)Nc1cc(-c2nccn2C)nc2ccc(C)cc12
InChIInChI=1S/C16H16N4O2/c1-10-4-5-12-11(8-10)13(19-16(21)22-3)9-14(18-12)15-17-6-7-20(15)2/h4-9H,1-3H3,(H,18,19,21)
InChIKeyMIGMIGHZJOFYGX-UHFFFAOYSA-N
XLogP3.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-methyl-2-(1-methylimidazol-2-yl)quinolin-4-yl]carbamate?
The IUPAC name of methyl N-[6-methyl-2-(1-methylimidazol-2-yl)quinolin-4-yl]carbamate (CID 10685351) is methyl N-[6-methyl-2-(1-methylimidazol-2-yl)quinolin-4-yl]carbamate.
What is the SMILES notation for methyl N-[6-methyl-2-(1-methylimidazol-2-yl)quinolin-4-yl]carbamate?
The canonical SMILES for methyl N-[6-methyl-2-(1-methylimidazol-2-yl)quinolin-4-yl]carbamate is COC(=O)Nc1cc(-c2nccn2C)nc2ccc(C)cc12.
What is the InChIKey of methyl N-[6-methyl-2-(1-methylimidazol-2-yl)quinolin-4-yl]carbamate?
The InChIKey is MIGMIGHZJOFYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-4-5-12-11(8-10)13(19-16(21)22-3)9-14(18-12)15-17-6-7-20(15)2/h4-9H,1-3H3,(H,18,19,21).
What are the key properties of methyl N-[6-methyl-2-(1-methylimidazol-2-yl)quinolin-4-yl]carbamate?
methyl N-[6-methyl-2-(1-methylimidazol-2-yl)quinolin-4-yl]carbamate has a molecular weight of 296.33 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-methyl-2-(1-methylimidazol-2-yl)quinolin-4-yl]carbamate is sourced from PubChem (CID 10685351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).