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

C18H22N4O — CID 175692402

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-2H-quinoline-4-carboxamide
SMILESCCn1ncc(CNC(=O)C2=CCN(C)c3ccccc32)c1C
InChIInChI=1S/C18H22N4O/c1-4-22-13(2)14(12-20-22)11-19-18(23)16-9-10-21(3)17-8-6-5-7-15(16)17/h5-9,12H,4,10-11H2,1-3H3,(H,19,23)
InChIKeyUYTWZTPEDPTGMN-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.36
Rot. Bonds4

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

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-2H-quinoline-4-carboxamide (PubChem CID 175692402) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-2H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-2H-quinoline-4-carboxamide
PubChem CID175692402
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-2H-quinoline-4-carboxamide
SMILESCCn1ncc(CNC(=O)C2=CCN(C)c3ccccc32)c1C
InChIInChI=1S/C18H22N4O/c1-4-22-13(2)14(12-20-22)11-19-18(23)16-9-10-21(3)17-8-6-5-7-15(16)17/h5-9,12H,4,10-11H2,1-3H3,(H,19,23)
InChIKeyUYTWZTPEDPTGMN-UHFFFAOYSA-N
XLogP2.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-2H-quinoline-4-carboxamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-2H-quinoline-4-carboxamide (CID 175692402) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-2H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-2H-quinoline-4-carboxamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-2H-quinoline-4-carboxamide is CCn1ncc(CNC(=O)C2=CCN(C)c3ccccc32)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-2H-quinoline-4-carboxamide?
The InChIKey is UYTWZTPEDPTGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-4-22-13(2)14(12-20-22)11-19-18(23)16-9-10-21(3)17-8-6-5-7-15(16)17/h5-9,12H,4,10-11H2,1-3H3,(H,19,23).
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-2H-quinoline-4-carboxamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-2H-quinoline-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-2H-quinoline-4-carboxamide is sourced from PubChem (CID 175692402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).