N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C22H23N5O2 — CID 78826203

IUPACN-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCN(C)c1ccc(Cn2nccc2NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C22H23N5O2/c1-26(2)18-7-3-15(4-8-18)14-27-20(11-12-23-27)25-22(29)17-5-9-19-16(13-17)6-10-21(28)24-19/h3-5,7-9,11-13H,6,10,14H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyQWDGXZIXMXYJEJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.13
Rot. Bonds5

About N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 78826203) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID78826203
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCN(C)c1ccc(Cn2nccc2NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C22H23N5O2/c1-26(2)18-7-3-15(4-8-18)14-27-20(11-12-23-27)25-22(29)17-5-9-19-16(13-17)6-10-21(28)24-19/h3-5,7-9,11-13H,6,10,14H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyQWDGXZIXMXYJEJ-UHFFFAOYSA-N
XLogP3.13
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide
CID 86906690
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33173069
4-(difluoromethoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-methoxybenzamide
CID 78806598
6-chloro-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 78810846
N-[4-(dimethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 34547299
2-chloro-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-methylsulfonylbenzamide
CID 78806729
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46415679
2-(4-bromophenyl)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806526
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
N-[4-[[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide
CID 78806761
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide
CID 26725865
N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102712636

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 78826203) is N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CN(C)c1ccc(Cn2nccc2NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is QWDGXZIXMXYJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-26(2)18-7-3-15(4-8-18)14-27-20(11-12-23-27)25-22(29)17-5-9-19-16(13-17)6-10-21(28)24-19/h3-5,7-9,11-13H,6,10,14H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 78826203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).