N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide

C22H21N5O3 — CID 24607784

IUPACN'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(CCC1Cc2ccccc2NC1=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H21N5O3/c28-20(11-10-16-12-15-8-4-5-9-17(15)23-21(16)29)26-27-22(30)19-13-18(24-25-19)14-6-2-1-3-7-14/h1-9,13,16H,10-12H2,(H,23,29)(H,24,25)(H,26,28)(H,27,30)
InChIKeyPLOLUYJVDHZCJW-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.43
Rot. Bonds5

About N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide

N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 24607784) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID24607784
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(CCC1Cc2ccccc2NC1=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H21N5O3/c28-20(11-10-16-12-15-8-4-5-9-17(15)23-21(16)29)26-27-22(30)19-13-18(24-25-19)14-6-2-1-3-7-14/h1-9,13,16H,10-12H2,(H,23,29)(H,24,25)(H,26,28)(H,27,30)
InChIKeyPLOLUYJVDHZCJW-UHFFFAOYSA-N
XLogP2.43
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 18164415
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CID 30211328
N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119383150
N-(3-hydroxypropyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78854593
1-methyl-N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]indole-3-carbohydrazide
CID 134051257
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
N'-[3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 9075646
2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
CID 119218504
3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide
CID 55791873
(2S)-3-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid
CID 119359510
N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119430985

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 24607784) is N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide is O=C(CCC1Cc2ccccc2NC1=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is PLOLUYJVDHZCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c28-20(11-10-16-12-15-8-4-5-9-17(15)23-21(16)29)26-27-22(30)19-13-18(24-25-19)14-6-2-1-3-7-14/h1-9,13,16H,10-12H2,(H,23,29)(H,24,25)(H,26,28)(H,27,30).
What are the key properties of N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 403.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 24607784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).