N-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide

C28H22N4O4 — CID 142731810

IUPACN-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2n(C(=O)c2ccc(-n3cccn3)cc2)c1=O)c1ccc(CO)cc1
InChIInChI=1S/C28H22N4O4/c1-30(22-11-7-19(18-33)8-12-22)27(35)24-17-21-5-2-3-6-25(21)32(28(24)36)26(34)20-9-13-23(14-10-20)31-16-4-15-29-31/h2-17,33H,18H2,1H3
InChIKeyNTWDKLGSLMYBCQ-UHFFFAOYSA-N
MW478.51 g/mol
LogP3.64
Rot. Bonds5

About N-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide

N-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide (PubChem CID 142731810) has the molecular formula C28H22N4O4 and a molecular weight of 478.51 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide
PubChem CID142731810
Molecular FormulaC28H22N4O4
Molecular Weight478.51 g/mol
Exact Mass478.16
IUPAC NameN-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2n(C(=O)c2ccc(-n3cccn3)cc2)c1=O)c1ccc(CO)cc1
InChIInChI=1S/C28H22N4O4/c1-30(22-11-7-19(18-33)8-12-22)27(35)24-17-21-5-2-3-6-25(21)32(28(24)36)26(34)20-9-13-23(14-10-20)31-16-4-15-29-31/h2-17,33H,18H2,1H3
InChIKeyNTWDKLGSLMYBCQ-UHFFFAOYSA-N
XLogP3.64
TPSA97.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)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

Related Compounds

N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-4-pyrazol-1-ylbenzamide
CID 23728911
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86857797
N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide
CID 78811414
2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide
CID 17354240
N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
CID 65031869
2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 62820545
4-(2-hydroxyethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56896332
ethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate
CID 165368602
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-pyrazol-1-ylbenzamide
CID 9476165
[4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol
CID 110006014
N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56882809
2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
CID 55703032

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide (CID 142731810) is N-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide is CN(C(=O)c1cc2ccccc2n(C(=O)c2ccc(-n3cccn3)cc2)c1=O)c1ccc(CO)cc1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide?
The InChIKey is NTWDKLGSLMYBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O4/c1-30(22-11-7-19(18-33)8-12-22)27(35)24-17-21-5-2-3-6-25(21)32(28(24)36)26(34)20-9-13-23(14-10-20)31-16-4-15-29-31/h2-17,33H,18H2,1H3.
What are the key properties of N-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide?
N-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide has a molecular weight of 478.51 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide is sourced from PubChem (CID 142731810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).