(2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide

C18H28ClN3O — CID 125044610

IUPAC(2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide
SMILESCCCC[C@@H](C(=O)NN)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C18H28ClN3O/c1-5-6-7-16(17(23)21-20)22-15-9-8-13(19)10-14(15)12(2)11-18(22,3)4/h8-10,12,16H,5-7,11,20H2,1-4H3,(H,21,23)/t12-,16+/m1/s1
InChIKeyNZTNSIGOGHSBDF-WBMJQRKESA-N
MW337.90 g/mol
LogP3.98
Rot. Bonds5

About (2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide

(2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide (PubChem CID 125044610) has the molecular formula C18H28ClN3O and a molecular weight of 337.90 g/mol. Its IUPAC name is (2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide.

Molecular Properties

Compound Name(2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide
PubChem CID125044610
Molecular FormulaC18H28ClN3O
Molecular Weight337.90 g/mol
Exact Mass337.19
IUPAC Name(2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide
SMILESCCCC[C@@H](C(=O)NN)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C18H28ClN3O/c1-5-6-7-16(17(23)21-20)22-15-9-8-13(19)10-14(15)12(2)11-18(22,3)4/h8-10,12,16H,5-7,11,20H2,1-4H3,(H,21,23)/t12-,16+/m1/s1
InChIKeyNZTNSIGOGHSBDF-WBMJQRKESA-N
XLogP3.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 53.98
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-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)hexanehydrazide
CID 132651833
methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate
CID 132650942
methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate
CID 132650058
(2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide
CID 125047320
2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide
CID 132649720
(2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide
CID 125044444
(2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
CID 125044403
2-(2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl)pentanehydrazide
CID 132650229
(2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
CID 125044487
methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate
CID 125044674
(2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
CID 125044518
methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate
CID 125044410

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide?
The IUPAC name of (2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide (CID 125044610) is (2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide.
What is the SMILES notation for (2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide?
The canonical SMILES for (2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide is CCCC[C@@H](C(=O)NN)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C.
What is the InChIKey of (2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide?
The InChIKey is NZTNSIGOGHSBDF-WBMJQRKESA-N. The full InChI is InChI=1S/C18H28ClN3O/c1-5-6-7-16(17(23)21-20)22-15-9-8-13(19)10-14(15)12(2)11-18(22,3)4/h8-10,12,16H,5-7,11,20H2,1-4H3,(H,21,23)/t12-,16+/m1/s1.
What are the key properties of (2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide?
(2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide has a molecular weight of 337.90 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide is sourced from PubChem (CID 125044610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).