(3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide

C16H20F3N3O3 — CID 8969590

IUPAC(3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide
SMILESC[C@@](O)(CC(=O)NNC(=O)CN1CCCc2ccccc21)C(F)(F)F
InChIInChI=1S/C16H20F3N3O3/c1-15(25,16(17,18)19)9-13(23)20-21-14(24)10-22-8-4-6-11-5-2-3-7-12(11)22/h2-3,5,7,25H,4,6,8-10H2,1H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeySMNZIFIMJNCHCS-OAHLLOKOSA-N
MW359.35 g/mol
LogP1.29
Rot. Bonds4

About (3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide

(3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide (PubChem CID 8969590) has the molecular formula C16H20F3N3O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is (3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide.

Molecular Properties

Compound Name(3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide
PubChem CID8969590
Molecular FormulaC16H20F3N3O3
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC Name(3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide
SMILESC[C@@](O)(CC(=O)NNC(=O)CN1CCCc2ccccc21)C(F)(F)F
InChIInChI=1S/C16H20F3N3O3/c1-15(25,16(17,18)19)9-13(23)20-21-14(24)10-22-8-4-6-11-5-2-3-7-12(11)22/h2-3,5,7,25H,4,6,8-10H2,1H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeySMNZIFIMJNCHCS-OAHLLOKOSA-N
XLogP1.29
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.29
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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Related Compounds

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
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]hexanehydrazide
CID 38707921
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
CID 2323657
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
CID 8659384
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26853955
2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 26853830
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea
CID 2330130
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994643
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide
CID 26853974
3-tert-butyl-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-methylpyrazole-5-carbohydrazide
CID 78894028

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide?
The IUPAC name of (3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide (CID 8969590) is (3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide.
What is the SMILES notation for (3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide?
The canonical SMILES for (3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide is C[C@@](O)(CC(=O)NNC(=O)CN1CCCc2ccccc21)C(F)(F)F.
What is the InChIKey of (3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide?
The InChIKey is SMNZIFIMJNCHCS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20F3N3O3/c1-15(25,16(17,18)19)9-13(23)20-21-14(24)10-22-8-4-6-11-5-2-3-7-12(11)22/h2-3,5,7,25H,4,6,8-10H2,1H3,(H,20,23)(H,21,24)/t15-/m1/s1.
What are the key properties of (3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide?
(3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide has a molecular weight of 359.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide is sourced from PubChem (CID 8969590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).