2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide

C22H27N5O2 — CID 46977184

IUPAC2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)NC(C)CN3CCOCC3)c3ccccc3n2)cnn1C
InChIInChI=1S/C22H27N5O2/c1-15(14-27-8-10-29-11-9-27)24-22(28)18-12-21(19-13-23-26(3)16(19)2)25-20-7-5-4-6-17(18)20/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,24,28)
InChIKeyQLRIDCGZDISPBA-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.39
Rot. Bonds5

About 2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide

2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide (PubChem CID 46977184) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
PubChem CID46977184
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)NC(C)CN3CCOCC3)c3ccccc3n2)cnn1C
InChIInChI=1S/C22H27N5O2/c1-15(14-27-8-10-29-11-9-27)24-22(28)18-12-21(19-13-23-26(3)16(19)2)25-20-7-5-4-6-17(18)20/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,24,28)
InChIKeyQLRIDCGZDISPBA-UHFFFAOYSA-N
XLogP2.39
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
CID 46975816
2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977229
2-(1-ethyl-5-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19512119
2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide
CID 19512342
2-(1,5-dimethylpyrazol-4-yl)-N-(2,6-dimethylquinolin-5-yl)quinoline-4-carboxamide
CID 46971014
6-(2,5-dimethylfuran-3-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55776597
1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 94025927
2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide
CID 19512369
N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512877
2-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl]quinoline-4-carboxamide
CID 51392252
2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide
CID 19512593
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[2-(1,5-dimethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518929

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide (CID 46977184) is 2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide is Cc1c(-c2cc(C(=O)NC(C)CN3CCOCC3)c3ccccc3n2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide?
The InChIKey is QLRIDCGZDISPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15(14-27-8-10-29-11-9-27)24-22(28)18-12-21(19-13-23-26(3)16(19)2)25-20-7-5-4-6-17(18)20/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,24,28).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide?
2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46977184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).