7-[[3-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

C23H23N5O3 — CID 162662687

IUPAC7-[[3-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4cnn(C(C)=O)c4)c3)cc21
InChIInChI=1S/C23H23N5O3/c1-15(29)28-14-19(13-25-28)17-5-3-6-18(11-17)22(30)26-20-9-8-16-7-4-10-27(21(16)12-20)23(31)24-2/h3,5-6,8-9,11-14H,4,7,10H2,1-2H3,(H,24,31)(H,26,30)
InChIKeyUDYMKDKGVXIQNJ-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.55
Rot. Bonds3

About 7-[[3-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

7-[[3-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 162662687) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 7-[[3-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name7-[[3-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID162662687
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name7-[[3-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4cnn(C(C)=O)c4)c3)cc21
InChIInChI=1S/C23H23N5O3/c1-15(29)28-14-19(13-25-28)17-5-3-6-18(11-17)22(30)26-20-9-8-16-7-4-10-27(21(16)12-20)23(31)24-2/h3,5-6,8-9,11-14H,4,7,10H2,1-2H3,(H,24,31)(H,26,30)
InChIKeyUDYMKDKGVXIQNJ-UHFFFAOYSA-N
XLogP3.55
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[[3-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-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 7-[[3-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 7-[[3-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 162662687) is 7-[[3-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 7-[[3-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 7-[[3-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is CNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4cnn(C(C)=O)c4)c3)cc21.
What is the InChIKey of 7-[[3-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is UDYMKDKGVXIQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-15(29)28-14-19(13-25-28)17-5-3-6-18(11-17)22(30)26-20-9-8-16-7-4-10-27(21(16)12-20)23(31)24-2/h3,5-6,8-9,11-14H,4,7,10H2,1-2H3,(H,24,31)(H,26,30).
What are the key properties of 7-[[3-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
7-[[3-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 162662687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).