N-methyl-7-[[4-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide

C21H21N5O2 — CID 162673238

IUPACN-methyl-7-[[4-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccn[nH]4)cc3)cc21
InChIInChI=1S/C21H21N5O2/c1-22-21(28)26-12-2-3-15-8-9-17(13-19(15)26)24-20(27)16-6-4-14(5-7-16)18-10-11-23-25-18/h4-11,13H,2-3,12H2,1H3,(H,22,28)(H,23,25)(H,24,27)
InChIKeyXWUXXBXEPKJMQG-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.42
Rot. Bonds3

About N-methyl-7-[[4-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide

N-methyl-7-[[4-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 162673238) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-methyl-7-[[4-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[[4-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID162673238
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-methyl-7-[[4-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccn[nH]4)cc3)cc21
InChIInChI=1S/C21H21N5O2/c1-22-21(28)26-12-2-3-15-8-9-17(13-19(15)26)24-20(27)16-6-4-14(5-7-16)18-10-11-23-25-18/h4-11,13H,2-3,12H2,1H3,(H,22,28)(H,23,25)(H,24,27)
InChIKeyXWUXXBXEPKJMQG-UHFFFAOYSA-N
XLogP3.42
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide
CID 134540391
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[3-(1H-pyrazol-4-yl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 137632753
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CID 164621314
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CID 3625258
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione
CID 24994152
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CID 54585261
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CID 54586218
4-(4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3,4-dihydroquinoxalin-1(2H)-yl)-N-cyclopropylbenzamide
CID 54587245
N-isopropyl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide
CID 68520214
1-[4-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]piperazin-1-yl]-2-phenylethanone
CID 117671051
4-((1-butyl-3-(1H-indazol-6-yl)ureido)methyl)-N-hydroxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[[4-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-methyl-7-[[4-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 162673238) is N-methyl-7-[[4-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-methyl-7-[[4-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-methyl-7-[[4-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide is CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccn[nH]4)cc3)cc21.
What is the InChIKey of N-methyl-7-[[4-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is XWUXXBXEPKJMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-22-21(28)26-12-2-3-15-8-9-17(13-19(15)26)24-20(27)16-6-4-14(5-7-16)18-10-11-23-25-18/h4-11,13H,2-3,12H2,1H3,(H,22,28)(H,23,25)(H,24,27).
What are the key properties of N-methyl-7-[[4-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-methyl-7-[[4-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[[4-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 162673238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).