N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline

C20H24ClN3 — CID 99886342

IUPACN-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline
SMILESC[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\Nc3ccccc3)cc21
InChIInChI=1S/C20H24ClN3/c1-14-12-20(2,3)24(4)19-11-18(21)15(10-17(14)19)13-22-23-16-8-6-5-7-9-16/h5-11,13-14,23H,12H2,1-4H3/b22-13-/t14-/m1/s1
InChIKeyOQULYCYENRQZJZ-BXSODOALSA-N
MW341.89 g/mol
LogP5.51
Rot. Bonds3

About N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline

N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline (PubChem CID 99886342) has the molecular formula C20H24ClN3 and a molecular weight of 341.89 g/mol. Its IUPAC name is N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline
PubChem CID99886342
Molecular FormulaC20H24ClN3
Molecular Weight341.89 g/mol
Exact Mass341.17
IUPAC NameN-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline
SMILESC[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\Nc3ccccc3)cc21
InChIInChI=1S/C20H24ClN3/c1-14-12-20(2,3)24(4)19-11-18(21)15(10-17(14)19)13-22-23-16-8-6-5-7-9-16/h5-11,13-14,23H,12H2,1-4H3/b22-13-/t14-/m1/s1
InChIKeyOQULYCYENRQZJZ-BXSODOALSA-N
XLogP5.51
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.89
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline with MolForge

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Related Compounds

N-[(E)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-nitroaniline
CID 133203433
N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline
CID 50859908
1-[(E)-[(4S)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-3-phenylthiourea
CID 99886483
1-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-phenylurea
CID 133203476
N-[(E)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133203437
N-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline
CID 75560608
N-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine
CID 50859018
2-chloro-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50859089
2-chloro-N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]benzamide
CID 99886404
N-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50859166
1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine
CID 50859359
2-bromo-N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]benzamide
CID 99886419

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline?
The IUPAC name of N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline (CID 99886342) is N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline.
What is the SMILES notation for N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline?
The canonical SMILES for N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline is C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\Nc3ccccc3)cc21.
What is the InChIKey of N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline?
The InChIKey is OQULYCYENRQZJZ-BXSODOALSA-N. The full InChI is InChI=1S/C20H24ClN3/c1-14-12-20(2,3)24(4)19-11-18(21)15(10-17(14)19)13-22-23-16-8-6-5-7-9-16/h5-11,13-14,23H,12H2,1-4H3/b22-13-/t14-/m1/s1.
What are the key properties of N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline?
N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline has a molecular weight of 341.89 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline is sourced from PubChem (CID 99886342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).