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

C23H23N5O3 — CID 162644380

IUPAC7-[[4-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4cnn(C(C)=O)c4)cc3)cc21
InChIInChI=1S/C23H23N5O3/c1-15(29)28-14-19(13-25-28)16-5-7-18(8-6-16)22(30)26-20-10-9-17-4-3-11-27(21(17)12-20)23(31)24-2/h5-10,12-14H,3-4,11H2,1-2H3,(H,24,31)(H,26,30)
InChIKeyKFRHEXGLPHPHCQ-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.55
Rot. Bonds3

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

7-[[4-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 162644380) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 7-[[4-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name7-[[4-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID162644380
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name7-[[4-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4cnn(C(C)=O)c4)cc3)cc21
InChIInChI=1S/C23H23N5O3/c1-15(29)28-14-19(13-25-28)16-5-7-18(8-6-16)22(30)26-20-10-9-17-4-3-11-27(21(17)12-20)23(31)24-2/h5-10,12-14H,3-4,11H2,1-2H3,(H,24,31)(H,26,30)
InChIKeyKFRHEXGLPHPHCQ-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

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 7-[[4-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 162644380) is 7-[[4-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 7-[[4-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 7-[[4-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4cnn(C(C)=O)c4)cc3)cc21.
What is the InChIKey of 7-[[4-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is KFRHEXGLPHPHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-15(29)28-14-19(13-25-28)16-5-7-18(8-6-16)22(30)26-20-10-9-17-4-3-11-27(21(17)12-20)23(31)24-2/h5-10,12-14H,3-4,11H2,1-2H3,(H,24,31)(H,26,30).
What are the key properties of 7-[[4-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
7-[[4-(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-[[4-(1-acetylpyrazol-4-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 162644380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).