(2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide

C17H27N3O — CID 125044444

IUPAC(2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide
SMILESCC[C@H](C(=O)NN)N1c2cc(C)ccc2[C@H](C)CC1(C)C
InChIInChI=1S/C17H27N3O/c1-6-14(16(21)19-18)20-15-9-11(2)7-8-13(15)12(3)10-17(20,4)5/h7-9,12,14H,6,10,18H2,1-5H3,(H,19,21)/t12-,14-/m1/s1
InChIKeyGNDILWXLGMSXND-TZMCWYRMSA-N
MW289.42 g/mol
LogP2.86
Rot. Bonds3

About (2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide

(2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide (PubChem CID 125044444) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide.

Molecular Properties

Compound Name(2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide
PubChem CID125044444
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide
SMILESCC[C@H](C(=O)NN)N1c2cc(C)ccc2[C@H](C)CC1(C)C
InChIInChI=1S/C17H27N3O/c1-6-14(16(21)19-18)20-15-9-11(2)7-8-13(15)12(3)10-17(20,4)5/h7-9,12,14H,6,10,18H2,1-5H3,(H,19,21)/t12-,14-/m1/s1
InChIKeyGNDILWXLGMSXND-TZMCWYRMSA-N
XLogP2.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide
CID 132649720
(2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
CID 125044403
(2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide
CID 125047320
(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]butanoic acid
CID 125044392
2-(2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl)pentanehydrazide
CID 132650229
(2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide
CID 125044610
2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)hexanehydrazide
CID 132651833
[1-acetyloxy-3-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)propyl] acetate
CID 57307043
2,2,4,7-tetramethyl-1-(2-sulfosulfanylethyl)-3,4-dihydroquinoline
CID 70544218
methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate
CID 132650942
2-(benzhydrylamino)-1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone;2,2,2-trifluoroacetic acid
CID 68963029
2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetohydrazide
CID 132649450

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide?
The IUPAC name of (2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide (CID 125044444) is (2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide.
What is the SMILES notation for (2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide?
The canonical SMILES for (2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide is CC[C@H](C(=O)NN)N1c2cc(C)ccc2[C@H](C)CC1(C)C.
What is the InChIKey of (2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide?
The InChIKey is GNDILWXLGMSXND-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H27N3O/c1-6-14(16(21)19-18)20-15-9-11(2)7-8-13(15)12(3)10-17(20,4)5/h7-9,12,14H,6,10,18H2,1-5H3,(H,19,21)/t12-,14-/m1/s1.
What are the key properties of (2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide?
(2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide has a molecular weight of 289.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide is sourced from PubChem (CID 125044444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).