2-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl]quinoline-4-carboxamide

C25H33N5O — CID 51392252

IUPAC2-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl]quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)N[C@@H](C)CN3CCC(C)CC3)c3ccccc3n2)c(C)n1
InChIInChI=1S/C25H33N5O/c1-5-30-16-22(19(4)28-30)24-14-21(20-8-6-7-9-23(20)27-24)25(31)26-18(3)15-29-12-10-17(2)11-13-29/h6-9,14,16-18H,5,10-13,15H2,1-4H3,(H,26,31)/t18-/m0/s1
InChIKeyRALTZVGZHQZTEN-SFHVURJKSA-N
MW419.57 g/mol
LogP4.28
Rot. Bonds6

About 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl]quinoline-4-carboxamide

2-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl]quinoline-4-carboxamide (PubChem CID 51392252) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl]quinoline-4-carboxamide
PubChem CID51392252
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC Name2-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl]quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)N[C@@H](C)CN3CCC(C)CC3)c3ccccc3n2)c(C)n1
InChIInChI=1S/C25H33N5O/c1-5-30-16-22(19(4)28-30)24-14-21(20-8-6-7-9-23(20)27-24)25(31)26-18(3)15-29-12-10-17(2)11-13-29/h6-9,14,16-18H,5,10-13,15H2,1-4H3,(H,26,31)/t18-/m0/s1
InChIKeyRALTZVGZHQZTEN-SFHVURJKSA-N
XLogP4.28
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511513
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 98336228
2-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 19511666
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518649
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511608
2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977184
2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977229
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide
CID 60574501
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19515716
ethyl 4-[2-[4-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19511685
[2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol
CID 66509490
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511596

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl]quinoline-4-carboxamide (CID 51392252) is 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl]quinoline-4-carboxamide is CCn1cc(-c2cc(C(=O)N[C@@H](C)CN3CCC(C)CC3)c3ccccc3n2)c(C)n1.
What is the InChIKey of 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl]quinoline-4-carboxamide?
The InChIKey is RALTZVGZHQZTEN-SFHVURJKSA-N. The full InChI is InChI=1S/C25H33N5O/c1-5-30-16-22(19(4)28-30)24-14-21(20-8-6-7-9-23(20)27-24)25(31)26-18(3)15-29-12-10-17(2)11-13-29/h6-9,14,16-18H,5,10-13,15H2,1-4H3,(H,26,31)/t18-/m0/s1.
What are the key properties of 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl]quinoline-4-carboxamide?
2-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl]quinoline-4-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2S)-1-(4-methylpiperidin-1-yl)propan-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 51392252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).