N-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide

C22H24F2N4O3 — CID 29493687

IUPACN-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C22H24F2N4O3/c23-16-9-10-17(18(24)13-16)22(31)25-11-3-8-20(29)26-27-21(30)14-28-12-4-6-15-5-1-2-7-19(15)28/h1-2,5,7,9-10,13H,3-4,6,8,11-12,14H2,(H,25,31)(H,26,29)(H,27,30)
InChIKeySRZYSZZGZHFKGZ-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.08
Rot. Bonds7

About N-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide

N-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide (PubChem CID 29493687) has the molecular formula C22H24F2N4O3 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
PubChem CID29493687
Molecular FormulaC22H24F2N4O3
Molecular Weight430.46 g/mol
Exact Mass430.18
IUPAC NameN-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C22H24F2N4O3/c23-16-9-10-17(18(24)13-16)22(31)25-11-3-8-20(29)26-27-21(30)14-28-12-4-6-15-5-1-2-7-19(15)28/h1-2,5,7,9-10,13H,3-4,6,8,11-12,14H2,(H,25,31)(H,26,29)(H,27,30)
InChIKeySRZYSZZGZHFKGZ-UHFFFAOYSA-N
XLogP2.08
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
CID 2323657
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
CID 35929500
2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide
CID 55732235
2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 7923476
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2548699
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide
CID 25336509
3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide
CID 24554708
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 30457128
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
CID 41483998
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide?
The IUPAC name of N-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide (CID 29493687) is N-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide is O=C(CCCNC(=O)c1ccc(F)cc1F)NNC(=O)CN1CCCc2ccccc21.
What is the InChIKey of N-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide?
The InChIKey is SRZYSZZGZHFKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O3/c23-16-9-10-17(18(24)13-16)22(31)25-11-3-8-20(29)26-27-21(30)14-28-12-4-6-15-5-1-2-7-19(15)28/h1-2,5,7,9-10,13H,3-4,6,8,11-12,14H2,(H,25,31)(H,26,29)(H,27,30).
What are the key properties of N-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide?
N-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide has a molecular weight of 430.46 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide is sourced from PubChem (CID 29493687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).