3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide

C20H22ClN3O2 — CID 24554708

IUPAC3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide
SMILESO=C(CCc1ccc(Cl)cc1)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C20H22ClN3O2/c21-17-10-7-15(8-11-17)9-12-19(25)22-23-20(26)14-24-13-3-5-16-4-1-2-6-18(16)24/h1-2,4,6-8,10-11H,3,5,9,12-14H2,(H,22,25)(H,23,26)
InChIKeyBFWWNQAQSRMKIQ-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.87
Rot. Bonds5

About 3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide

3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide (PubChem CID 24554708) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide
PubChem CID24554708
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide
SMILESO=C(CCc1ccc(Cl)cc1)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C20H22ClN3O2/c21-17-10-7-15(8-11-17)9-12-19(25)22-23-20(26)14-24-13-3-5-16-4-1-2-6-18(16)24/h1-2,4,6-8,10-11H,3,5,9,12-14H2,(H,22,25)(H,23,26)
InChIKeyBFWWNQAQSRMKIQ-UHFFFAOYSA-N
XLogP2.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 2548635
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide
CID 26047098
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
2-(2,4-dichlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]acetohydrazide
CID 7923511
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-methylthiourea
CID 8659375
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide
CID 25336509
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26853955
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654337
2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 7923476
(3S)-6-chloro-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8969580
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2548699

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide?
The IUPAC name of 3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide (CID 24554708) is 3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide.
What is the SMILES notation for 3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide?
The canonical SMILES for 3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide is O=C(CCc1ccc(Cl)cc1)NNC(=O)CN1CCCc2ccccc21.
What is the InChIKey of 3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide?
The InChIKey is BFWWNQAQSRMKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-17-10-7-15(8-11-17)9-12-19(25)22-23-20(26)14-24-13-3-5-16-4-1-2-6-18(16)24/h1-2,4,6-8,10-11H,3,5,9,12-14H2,(H,22,25)(H,23,26).
What are the key properties of 3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide?
3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide has a molecular weight of 371.87 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide is sourced from PubChem (CID 24554708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).