2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide

C22H26FN5O — CID 45170761

IUPAC2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)N(C)CC3CCCN3C)c3ccc(F)cc3n2)cn1
InChIInChI=1S/C22H26FN5O/c1-4-28-13-15(12-24-28)20-11-19(18-8-7-16(23)10-21(18)25-20)22(29)27(3)14-17-6-5-9-26(17)2/h7-8,10-13,17H,4-6,9,14H2,1-3H3
InChIKeyODQRXUWVIGWCIZ-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.42
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide

2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide (PubChem CID 45170761) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide
PubChem CID45170761
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)N(C)CC3CCCN3C)c3ccc(F)cc3n2)cn1
InChIInChI=1S/C22H26FN5O/c1-4-28-13-15(12-24-28)20-11-19(18-8-7-16(23)10-21(18)25-20)22(29)27(3)14-17-6-5-9-26(17)2/h7-8,10-13,17H,4-6,9,14H2,1-3H3
InChIKeyODQRXUWVIGWCIZ-UHFFFAOYSA-N
XLogP3.42
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
CID 29085706
[7-fluoro-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 29255838
2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79318747
2-(1-ethylpyrazol-4-yl)-6-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
CID 46987975
2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79313807
[7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone
CID 29024640
[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 95047048
4-amino-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303281
N-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide
CID 45247814
2-fluoro-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 81480578
N-[(1-ethylimidazol-2-yl)methyl]-7-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)quinoline-4-carboxamide
CID 46994840
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
CID 103720335

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide (CID 45170761) is 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide is CCn1cc(-c2cc(C(=O)N(C)CC3CCCN3C)c3ccc(F)cc3n2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide?
The InChIKey is ODQRXUWVIGWCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-4-28-13-15(12-24-28)20-11-19(18-8-7-16(23)10-21(18)25-20)22(29)27(3)14-17-6-5-9-26(17)2/h7-8,10-13,17H,4-6,9,14H2,1-3H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide?
2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 45170761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).