[2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone

C22H26N4O — CID 95047130

IUPAC[2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
SMILESCCn1cc(-c2cc(C(=O)N3CCC[C@@H]3C)c3c(C)cc(C)cc3n2)cn1
InChIInChI=1S/C22H26N4O/c1-5-25-13-17(12-23-25)19-11-18(22(27)26-8-6-7-16(26)4)21-15(3)9-14(2)10-20(21)24-19/h9-13,16H,5-8H2,1-4H3/t16-/m0/s1
InChIKeyCDPKSEKJAOEJEX-INIZCTEOSA-N
MW362.48 g/mol
LogP4.36
Rot. Bonds3

About [2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone

[2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone (PubChem CID 95047130) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is [2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
PubChem CID95047130
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name[2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
SMILESCCn1cc(-c2cc(C(=O)N3CCC[C@@H]3C)c3c(C)cc(C)cc3n2)cn1
InChIInChI=1S/C22H26N4O/c1-5-25-13-17(12-23-25)19-11-18(22(27)26-8-6-7-16(26)4)21-15(3)9-14(2)10-20(21)24-19/h9-13,16H,5-8H2,1-4H3/t16-/m0/s1
InChIKeyCDPKSEKJAOEJEX-INIZCTEOSA-N
XLogP4.36
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone (CID 95047130) is [2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone is CCn1cc(-c2cc(C(=O)N3CCC[C@@H]3C)c3c(C)cc(C)cc3n2)cn1.
What is the InChIKey of [2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is CDPKSEKJAOEJEX-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N4O/c1-5-25-13-17(12-23-25)19-11-18(22(27)26-8-6-7-16(26)4)21-15(3)9-14(2)10-20(21)24-19/h9-13,16H,5-8H2,1-4H3/t16-/m0/s1.
What are the key properties of [2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
[2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 362.48 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 95047130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).