N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline

C22H26ClN3 — CID 50868938

IUPACN-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline
SMILESCCCN1c2cc(Cl)c(/C=N\Nc3ccccc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H26ClN3/c1-5-11-26-21-13-20(23)17(12-19(21)16(2)14-22(26,3)4)15-24-25-18-9-7-6-8-10-18/h6-10,12-15,25H,5,11H2,1-4H3/b24-15-
InChIKeyWIHVTCXUYXREEN-IWIPYMOSSA-N
MW367.92 g/mol
LogP6.20
Rot. Bonds5

About N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline

N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline (PubChem CID 50868938) has the molecular formula C22H26ClN3 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline
PubChem CID50868938
Molecular FormulaC22H26ClN3
Molecular Weight367.92 g/mol
Exact Mass367.18
IUPAC NameN-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline
SMILESCCCN1c2cc(Cl)c(/C=N\Nc3ccccc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H26ClN3/c1-5-11-26-21-13-20(23)17(12-19(21)16(2)14-22(26,3)4)15-24-25-18-9-7-6-8-10-18/h6-10,12-15,25H,5,11H2,1-4H3/b24-15-
InChIKeyWIHVTCXUYXREEN-IWIPYMOSSA-N
XLogP6.20
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.92
LogP ≤ 56.20
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'}

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Related Compounds

N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50868948
2-bromo-N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50869011
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide
CID 50868835
4-[(2E)-2-[(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydrazinyl]benzoic acid
CID 50864865
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 50868872
N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline
CID 50864633
N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868952
N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-4-nitroaniline
CID 50864772
1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine
CID 50869093
1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
CID 50867062
N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
CID 50868475
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
CID 50869657

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline?
The IUPAC name of N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline (CID 50868938) is N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline.
What is the SMILES notation for N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline?
The canonical SMILES for N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline is CCCN1c2cc(Cl)c(/C=N\Nc3ccccc3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline?
The InChIKey is WIHVTCXUYXREEN-IWIPYMOSSA-N. The full InChI is InChI=1S/C22H26ClN3/c1-5-11-26-21-13-20(23)17(12-19(21)16(2)14-22(26,3)4)15-24-25-18-9-7-6-8-10-18/h6-10,12-15,25H,5,11H2,1-4H3/b24-15-.
What are the key properties of N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline?
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline has a molecular weight of 367.92 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline is sourced from PubChem (CID 50868938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).