4-(2-ethylbutylamino)-6-(1-methylpyrazol-4-yl)quinoline-3-carboxamide

C20H25N5O — CID 155550286

IUPAC4-(2-ethylbutylamino)-6-(1-methylpyrazol-4-yl)quinoline-3-carboxamide
SMILESCCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3cnn(C)c3)cc12
InChIInChI=1S/C20H25N5O/c1-4-13(5-2)9-23-19-16-8-14(15-10-24-25(3)12-15)6-7-18(16)22-11-17(19)20(21)26/h6-8,10-13H,4-5,9H2,1-3H3,(H2,21,26)(H,22,23)
InChIKeyVMVYVVDVGAEFPN-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.58
Rot. Bonds7

About 4-(2-ethylbutylamino)-6-(1-methylpyrazol-4-yl)quinoline-3-carboxamide

4-(2-ethylbutylamino)-6-(1-methylpyrazol-4-yl)quinoline-3-carboxamide (PubChem CID 155550286) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(2-ethylbutylamino)-6-(1-methylpyrazol-4-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-ethylbutylamino)-6-(1-methylpyrazol-4-yl)quinoline-3-carboxamide
PubChem CID155550286
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name4-(2-ethylbutylamino)-6-(1-methylpyrazol-4-yl)quinoline-3-carboxamide
SMILESCCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3cnn(C)c3)cc12
InChIInChI=1S/C20H25N5O/c1-4-13(5-2)9-23-19-16-8-14(15-10-24-25(3)12-15)6-7-18(16)22-11-17(19)20(21)26/h6-8,10-13H,4-5,9H2,1-3H3,(H2,21,26)(H,22,23)
InChIKeyVMVYVVDVGAEFPN-UHFFFAOYSA-N
XLogP3.58
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-ethylbutylamino)-6-(1-methylpyrazol-4-yl)quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutylamino)-6-(1-methylpyrazol-4-yl)quinoline-3-carboxamide?
The IUPAC name of 4-(2-ethylbutylamino)-6-(1-methylpyrazol-4-yl)quinoline-3-carboxamide (CID 155550286) is 4-(2-ethylbutylamino)-6-(1-methylpyrazol-4-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2-ethylbutylamino)-6-(1-methylpyrazol-4-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-(2-ethylbutylamino)-6-(1-methylpyrazol-4-yl)quinoline-3-carboxamide is CCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3cnn(C)c3)cc12.
What is the InChIKey of 4-(2-ethylbutylamino)-6-(1-methylpyrazol-4-yl)quinoline-3-carboxamide?
The InChIKey is VMVYVVDVGAEFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-4-13(5-2)9-23-19-16-8-14(15-10-24-25(3)12-15)6-7-18(16)22-11-17(19)20(21)26/h6-8,10-13H,4-5,9H2,1-3H3,(H2,21,26)(H,22,23).
What are the key properties of 4-(2-ethylbutylamino)-6-(1-methylpyrazol-4-yl)quinoline-3-carboxamide?
4-(2-ethylbutylamino)-6-(1-methylpyrazol-4-yl)quinoline-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutylamino)-6-(1-methylpyrazol-4-yl)quinoline-3-carboxamide is sourced from PubChem (CID 155550286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).