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

C22H23N5O2 — CID 162646040

IUPACN-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccn(C)n4)cc3)cc21
InChIInChI=1S/C22H23N5O2/c1-23-22(29)27-12-3-4-16-9-10-18(14-20(16)27)24-21(28)17-7-5-15(6-8-17)19-11-13-26(2)25-19/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,29)(H,24,28)
InChIKeyPSNUIKMCODLIKE-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.43
Rot. Bonds3

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

N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 162646040) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID162646040
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccn(C)n4)cc3)cc21
InChIInChI=1S/C22H23N5O2/c1-23-22(29)27-12-3-4-16-9-10-18(14-20(16)27)24-21(28)17-7-5-15(6-8-17)19-11-13-26(2)25-19/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,29)(H,24,28)
InChIKeyPSNUIKMCODLIKE-UHFFFAOYSA-N
XLogP3.43
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-phenyl-N-[4-[propyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)amino]butyl]benzamide
CID 52937776
4-phenyl-N-[4-[propyl-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]amino]butyl]benzamide
CID 52937876
N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide
CID 164621314
4(1H)-Quinazolinone, 2-(1,5-dimethyl-1H-pyrazol-4-yl)-2,3-dihydro-3-hydroxy-
CID 4103501
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)benzamide
CID 118408862
N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]benzamide
CID 168271255
2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-hydroxy-2,3-dihydroquinazolin-4(1H)-one
CID 3239266
Cxd-101
CID 16225380
Hu7691 free base
CID 135274950
2-(3,4-dimethylphenyl)-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 3415782
1-(2,6-dimethylphenyl)-N-(4-ethylphenyl)-5-piperidin-4-yl-1H-pyrazole-4-carboxamide
CID 16023275
4-fluoro-N-({1-[5-methyl-2-(1H-pyrazol-1-yl)benzyl]-3-piperidinyl}methyl)benzamide
CID 16189133

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 162646040) is N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide is CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccn(C)n4)cc3)cc21.
What is the InChIKey of N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is PSNUIKMCODLIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-23-22(29)27-12-3-4-16-9-10-18(14-20(16)27)24-21(28)17-7-5-15(6-8-17)19-11-13-26(2)25-19/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,29)(H,24,28).
What are the key properties of N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 162646040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).