6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide

C22H23ClN6O — CID 164766967

IUPAC6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2cc(-c3cn(C)cn3)nc3ccc(Cl)cc23)c1C
InChIInChI=1S/C22H23ClN6O/c1-5-29-14(2)15(10-25-29)11-28(4)22(30)18-9-20(21-12-27(3)13-24-21)26-19-7-6-16(23)8-17(18)19/h6-10,12-13H,5,11H2,1-4H3
InChIKeyPNGPXAXQBBKRMR-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.09
Rot. Bonds5

About 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide

6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide (PubChem CID 164766967) has the molecular formula C22H23ClN6O and a molecular weight of 422.92 g/mol. Its IUPAC name is 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide
PubChem CID164766967
Molecular FormulaC22H23ClN6O
Molecular Weight422.92 g/mol
Exact Mass422.16
IUPAC Name6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2cc(-c3cn(C)cn3)nc3ccc(Cl)cc23)c1C
InChIInChI=1S/C22H23ClN6O/c1-5-29-14(2)15(10-25-29)11-28(4)22(30)18-9-20(21-12-27(3)13-24-21)26-19-7-6-16(23)8-17(18)19/h6-10,12-13H,5,11H2,1-4H3
InChIKeyPNGPXAXQBBKRMR-UHFFFAOYSA-N
XLogP4.09
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide (CID 164766967) is 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide is CCn1ncc(CN(C)C(=O)c2cc(-c3cn(C)cn3)nc3ccc(Cl)cc23)c1C.
What is the InChIKey of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide?
The InChIKey is PNGPXAXQBBKRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O/c1-5-29-14(2)15(10-25-29)11-28(4)22(30)18-9-20(21-12-27(3)13-24-21)26-19-7-6-16(23)8-17(18)19/h6-10,12-13H,5,11H2,1-4H3.
What are the key properties of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide?
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 164766967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).