2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide

C23H22N4O2 — CID 55880971

IUPAC2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3ccc(OCc4nccn4C)cc3)cc2c1
InChIInChI=1S/C23H22N4O2/c1-15-4-9-21-17(12-15)13-20(16(2)25-21)23(28)26-18-5-7-19(8-6-18)29-14-22-24-10-11-27(22)3/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeyZRXQVDOQFCNLRQ-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.42
Rot. Bonds5

About 2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide

2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide (PubChem CID 55880971) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide
PubChem CID55880971
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3ccc(OCc4nccn4C)cc3)cc2c1
InChIInChI=1S/C23H22N4O2/c1-15-4-9-21-17(12-15)13-20(16(2)25-21)23(28)26-18-5-7-19(8-6-18)29-14-22-24-10-11-27(22)3/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeyZRXQVDOQFCNLRQ-UHFFFAOYSA-N
XLogP4.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 47045513
N-[4-(2-imidazol-1-ylethoxy)phenyl]-2,7-dimethylquinoline-3-carboxamide
CID 166198748
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736611
2-(cyclopropylmethylamino)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 119858982
1-(4-chlorophenyl)-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide
CID 78902007
3,5-dichloro-4-methoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 55766590
N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide
CID 56503242
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide
CID 55766270
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide (CID 55880971) is 2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)Nc3ccc(OCc4nccn4C)cc3)cc2c1.
What is the InChIKey of 2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide?
The InChIKey is ZRXQVDOQFCNLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-4-9-21-17(12-15)13-20(16(2)25-21)23(28)26-18-5-7-19(8-6-18)29-14-22-24-10-11-27(22)3/h4-13H,14H2,1-3H3,(H,26,28).
What are the key properties of 2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide?
2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 55880971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).