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

C21H21N5O2 — CID 162646849

IUPACN-methyl-7-[[3-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4cn[nH]c4)c3)cc21
InChIInChI=1S/C21H21N5O2/c1-22-21(28)26-9-3-6-14-7-8-18(11-19(14)26)25-20(27)16-5-2-4-15(10-16)17-12-23-24-13-17/h2,4-5,7-8,10-13H,3,6,9H2,1H3,(H,22,28)(H,23,24)(H,25,27)
InChIKeyWLLIZUNUHOJDCJ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.42
Rot. Bonds3

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

N-methyl-7-[[3-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 162646849) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-methyl-7-[[3-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[[3-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID162646849
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-methyl-7-[[3-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4cn[nH]c4)c3)cc21
InChIInChI=1S/C21H21N5O2/c1-22-21(28)26-9-3-6-14-7-8-18(11-19(14)26)25-20(27)16-5-2-4-15(10-16)17-12-23-24-13-17/h2,4-5,7-8,10-13H,3,6,9H2,1H3,(H,22,28)(H,23,24)(H,25,27)
InChIKeyWLLIZUNUHOJDCJ-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

3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
CID 154815729
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
N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide
CID 164621314
4-((4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3,4-dihydroquinoxalin-1(2H)-yl)methyl)-N-cyclopropylbenzamide
CID 54585261
4-(4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3,4-dihydroquinoxalin-1(2H)-yl)benzamide
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
4-((1-butyl-3-(1H-indazol-6-yl)ureido)methyl)-N-hydroxybenzamide
CID 117855071
N-(4-fluorophenyl)-3-[[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]methyl]benzamide
CID 155594113
2-[4-(1H-pyrazol-3-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-one
CID 121231397
N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71654826

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[[3-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-methyl-7-[[3-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 162646849) is N-methyl-7-[[3-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-methyl-7-[[3-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-methyl-7-[[3-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide is CNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4cn[nH]c4)c3)cc21.
What is the InChIKey of N-methyl-7-[[3-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is WLLIZUNUHOJDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-22-21(28)26-9-3-6-14-7-8-18(11-19(14)26)25-20(27)16-5-2-4-15(10-16)17-12-23-24-13-17/h2,4-5,7-8,10-13H,3,6,9H2,1H3,(H,22,28)(H,23,24)(H,25,27).
What are the key properties of N-methyl-7-[[3-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-methyl-7-[[3-(1H-pyrazol-4-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-[[3-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 162646849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).