1-methyl-N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]indole-3-carbohydrazide

C22H22N4O3 — CID 134051257

IUPAC1-methyl-N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)CCC2Cc3ccccc3NC2=O)c2ccccc21
InChIInChI=1S/C22H22N4O3/c1-26-13-17(16-7-3-5-9-19(16)26)22(29)25-24-20(27)11-10-15-12-14-6-2-4-8-18(14)23-21(15)28/h2-9,13,15H,10-12H2,1H3,(H,23,28)(H,24,27)(H,25,29)
InChIKeyPZGSINVMWLXGFC-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.53
Rot. Bonds4

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

1-methyl-N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]indole-3-carbohydrazide (PubChem CID 134051257) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-methyl-N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]indole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]indole-3-carbohydrazide
PubChem CID134051257
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name1-methyl-N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)CCC2Cc3ccccc3NC2=O)c2ccccc21
InChIInChI=1S/C22H22N4O3/c1-26-13-17(16-7-3-5-9-19(16)26)22(29)25-24-20(27)11-10-15-12-14-6-2-4-8-18(14)23-21(15)28/h2-9,13,15H,10-12H2,1H3,(H,23,28)(H,24,27)(H,25,29)
InChIKeyPZGSINVMWLXGFC-UHFFFAOYSA-N
XLogP2.53
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]indole-3-carbohydrazide?
The IUPAC name of 1-methyl-N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]indole-3-carbohydrazide (CID 134051257) is 1-methyl-N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]indole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]indole-3-carbohydrazide?
The canonical SMILES for 1-methyl-N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]indole-3-carbohydrazide is Cn1cc(C(=O)NNC(=O)CCC2Cc3ccccc3NC2=O)c2ccccc21.
What is the InChIKey of 1-methyl-N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]indole-3-carbohydrazide?
The InChIKey is PZGSINVMWLXGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-26-13-17(16-7-3-5-9-19(16)26)22(29)25-24-20(27)11-10-15-12-14-6-2-4-8-18(14)23-21(15)28/h2-9,13,15H,10-12H2,1H3,(H,23,28)(H,24,27)(H,25,29).
What are the key properties of 1-methyl-N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]indole-3-carbohydrazide?
1-methyl-N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]indole-3-carbohydrazide has a molecular weight of 390.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]indole-3-carbohydrazide is sourced from PubChem (CID 134051257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).