2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide

C36H32N10O2 — CID 172972455

IUPAC2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide
SMILESCC(=O)N/N=C1\CCCc2ccc(-c3cnn(-c4cccnc4)c3)nc21.O=C1CCCc2ccc(-c3cnn(-c4cccnc4)c3)nc21
InChIInChI=1S/C19H18N6O.C17H14N4O/c1-13(26)23-24-18-6-2-4-14-7-8-17(22-19(14)18)15-10-21-25(12-15)16-5-3-9-20-11-16;22-16-5-1-3-12-6-7-15(20-17(12)16)13-9-19-21(11-13)14-4-2-8-18-10-14/h3,5,7-12H,2,4,6H2,1H3,(H,23,26);2,4,6-11H,1,3,5H2/b24-18+;
InChIKeyLEHLNGGHEAXULL-NDUABGMUSA-N
MW636.72 g/mol
LogP5.35
Rot. Bonds5

About 2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide

2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide (PubChem CID 172972455) has the molecular formula C36H32N10O2 and a molecular weight of 636.72 g/mol. Its IUPAC name is 2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide
PubChem CID172972455
Molecular FormulaC36H32N10O2
Molecular Weight636.72 g/mol
Exact Mass636.27
IUPAC Name2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide
SMILESCC(=O)N/N=C1\CCCc2ccc(-c3cnn(-c4cccnc4)c3)nc21.O=C1CCCc2ccc(-c3cnn(-c4cccnc4)c3)nc21
InChIInChI=1S/C19H18N6O.C17H14N4O/c1-13(26)23-24-18-6-2-4-14-7-8-17(22-19(14)18)15-10-21-25(12-15)16-5-3-9-20-11-16;22-16-5-1-3-12-6-7-15(20-17(12)16)13-9-19-21(11-13)14-4-2-8-18-10-14/h3,5,7-12H,2,4,6H2,1H3,(H,23,26);2,4,6-11H,1,3,5H2/b24-18+;
InChIKeyLEHLNGGHEAXULL-NDUABGMUSA-N
XLogP5.35
TPSA145.73 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500636.72
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide with MolForge

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Related Compounds

(E)-N-methoxy-2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-imine;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 172952416
methyl N-[[2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
CID 123865812
9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide
CID 75202676
methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
CID 123621011
2-methyl-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine
CID 123917950
1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one
CID 58336742
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide
CID 168874969
N-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 68623634
morpholin-4-yl-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]methanone
CID 58336841
6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide
CID 58336759
2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine
CID 58336794
N-[(E)-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]pyridin-2-amine
CID 118081833

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide?
The IUPAC name of 2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide (CID 172972455) is 2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide.
What is the SMILES notation for 2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide?
The canonical SMILES for 2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide is CC(=O)N/N=C1\CCCc2ccc(-c3cnn(-c4cccnc4)c3)nc21.O=C1CCCc2ccc(-c3cnn(-c4cccnc4)c3)nc21.
What is the InChIKey of 2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide?
The InChIKey is LEHLNGGHEAXULL-NDUABGMUSA-N. The full InChI is InChI=1S/C19H18N6O.C17H14N4O/c1-13(26)23-24-18-6-2-4-14-7-8-17(22-19(14)18)15-10-21-25(12-15)16-5-3-9-20-11-16;22-16-5-1-3-12-6-7-15(20-17(12)16)13-9-19-21(11-13)14-4-2-8-18-10-14/h3,5,7-12H,2,4,6H2,1H3,(H,23,26);2,4,6-11H,1,3,5H2/b24-18+;.
What are the key properties of 2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide?
2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide has a molecular weight of 636.72 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide is sourced from PubChem (CID 172972455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).