[7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone

C22H26N4O2 — CID 45209543

IUPAC[7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCCCn1cc(-c2cc(C(=O)N3CCCC3C)c3ccc(OC)cc3n2)cn1
InChIInChI=1S/C22H26N4O2/c1-4-9-25-14-16(13-23-25)20-12-19(22(27)26-10-5-6-15(26)2)18-8-7-17(28-3)11-21(18)24-20/h7-8,11-15H,4-6,9-10H2,1-3H3
InChIKeyAOKFQINRFHLFIK-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.14
Rot. Bonds5

About [7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone

[7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 45209543) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is [7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID45209543
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name[7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCCCn1cc(-c2cc(C(=O)N3CCCC3C)c3ccc(OC)cc3n2)cn1
InChIInChI=1S/C22H26N4O2/c1-4-9-25-14-16(13-23-25)20-12-19(22(27)26-10-5-6-15(26)2)18-8-7-17(28-3)11-21(18)24-20/h7-8,11-15H,4-6,9-10H2,1-3H3
InChIKeyAOKFQINRFHLFIK-UHFFFAOYSA-N
XLogP4.14
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[7-fluoro-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 29255838
[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46995494
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 44823378
[2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 95047130
[2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 95046285
[(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 95046617
(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46988948
7-methoxy-N,N-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 46982682
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046708
[6-fluoro-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 45171328
[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 46996230
[6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046040

Frequently Asked Questions

What is the IUPAC name of [7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone (CID 45209543) is [7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone is CCCn1cc(-c2cc(C(=O)N3CCCC3C)c3ccc(OC)cc3n2)cn1.
What is the InChIKey of [7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is AOKFQINRFHLFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-9-25-14-16(13-23-25)20-12-19(22(27)26-10-5-6-15(26)2)18-8-7-17(28-3)11-21(18)24-20/h7-8,11-15H,4-6,9-10H2,1-3H3.
What are the key properties of [7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
[7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 378.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 45209543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).