(2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide

C15H22ClN3O — CID 125047320

IUPAC(2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide
SMILESC[C@@H]1CC(C)(C)N([C@@H](C)C(=O)NN)c2cc(Cl)ccc21
InChIInChI=1S/C15H22ClN3O/c1-9-8-15(3,4)19(10(2)14(20)18-17)13-7-11(16)5-6-12(9)13/h5-7,9-10H,8,17H2,1-4H3,(H,18,20)/t9-,10+/m1/s1
InChIKeyWLTBIEFSLSHBTB-ZJUUUORDSA-N
MW295.81 g/mol
LogP2.81
Rot. Bonds2

About (2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide

(2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide (PubChem CID 125047320) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is (2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide
PubChem CID125047320
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name(2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide
SMILESC[C@@H]1CC(C)(C)N([C@@H](C)C(=O)NN)c2cc(Cl)ccc21
InChIInChI=1S/C15H22ClN3O/c1-9-8-15(3,4)19(10(2)14(20)18-17)13-7-11(16)5-6-12(9)13/h5-7,9-10H,8,17H2,1-4H3,(H,18,20)/t9-,10+/m1/s1
InChIKeyWLTBIEFSLSHBTB-ZJUUUORDSA-N
XLogP2.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.81
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

methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate
CID 132650058
2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)hexanehydrazide
CID 132651833
(2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide
CID 125044610
(2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide
CID 125044444
2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide
CID 132649720
(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid
CID 125044341
(2R)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid
CID 125044340
methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate
CID 132650942
1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline
CID 21498615
2-(2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl)pentanehydrazide
CID 132650229
2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one
CID 133219812
2-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoic acid
CID 133219822

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide?
The IUPAC name of (2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide (CID 125047320) is (2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide.
What is the SMILES notation for (2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide?
The canonical SMILES for (2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide is C[C@@H]1CC(C)(C)N([C@@H](C)C(=O)NN)c2cc(Cl)ccc21.
What is the InChIKey of (2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide?
The InChIKey is WLTBIEFSLSHBTB-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-9-8-15(3,4)19(10(2)14(20)18-17)13-7-11(16)5-6-12(9)13/h5-7,9-10H,8,17H2,1-4H3,(H,18,20)/t9-,10+/m1/s1.
What are the key properties of (2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide?
(2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide has a molecular weight of 295.81 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide is sourced from PubChem (CID 125047320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).