6-[[5-(4-imidazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one

C21H18N6O — CID 139391779

IUPAC6-[[5-(4-imidazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Nc3cc(-c4ccc(-n5ccnc5)cc4)[nH]n3)ccc2N1
InChIInChI=1S/C21H18N6O/c28-21-8-3-15-11-16(4-7-18(15)24-21)23-20-12-19(25-26-20)14-1-5-17(6-2-14)27-10-9-22-13-27/h1-2,4-7,9-13H,3,8H2,(H,24,28)(H2,23,25,26)
InChIKeyDBPJGNASQBRYCG-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.89
Rot. Bonds4

About 6-[[5-(4-imidazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one

6-[[5-(4-imidazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 139391779) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 6-[[5-(4-imidazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[5-(4-imidazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID139391779
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name6-[[5-(4-imidazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Nc3cc(-c4ccc(-n5ccnc5)cc4)[nH]n3)ccc2N1
InChIInChI=1S/C21H18N6O/c28-21-8-3-15-11-16(4-7-18(15)24-21)23-20-12-19(25-26-20)14-1-5-17(6-2-14)27-10-9-22-13-27/h1-2,4-7,9-13H,3,8H2,(H,24,28)(H2,23,25,26)
InChIKeyDBPJGNASQBRYCG-UHFFFAOYSA-N
XLogP3.89
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[[5-(4-imidazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-imidazol-1-yl-1,4-dihydro-3,1-benzothiazin-2-one
CID 19806579
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 80560774
6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 14373275
5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile
CID 116858528
6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60753916
6-(cyclopropylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43738023
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 122313308
4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile
CID 116900840
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922191
6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 104749401
5-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazine-2-carboxamide
CID 103817140

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-imidazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[5-(4-imidazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 139391779) is 6-[[5-(4-imidazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[5-(4-imidazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[5-(4-imidazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Nc3cc(-c4ccc(-n5ccnc5)cc4)[nH]n3)ccc2N1.
What is the InChIKey of 6-[[5-(4-imidazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DBPJGNASQBRYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c28-21-8-3-15-11-16(4-7-18(15)24-21)23-20-12-19(25-26-20)14-1-5-17(6-2-14)27-10-9-22-13-27/h1-2,4-7,9-13H,3,8H2,(H,24,28)(H2,23,25,26).
What are the key properties of 6-[[5-(4-imidazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
6-[[5-(4-imidazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 370.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-imidazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 139391779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).