N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide

C22H26ClN3O2 — CID 50860912

IUPACN-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
SMILESCCN1c2cc(Cl)c(/C=N\NC(=O)c3ccc(O)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C22H26ClN3O2/c1-5-26-20-11-19(23)16(10-18(20)14(2)12-22(26,3)4)13-24-25-21(28)15-6-8-17(27)9-7-15/h6-11,13-14,27H,5,12H2,1-4H3,(H,25,28)/b24-13-
InChIKeyMFISPKYMYFTUKS-CFRMEGHHSA-N
MW399.92 g/mol
LogP4.92
Rot. Bonds4

About N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide

N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide (PubChem CID 50860912) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
PubChem CID50860912
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
SMILESCCN1c2cc(Cl)c(/C=N\NC(=O)c3ccc(O)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C22H26ClN3O2/c1-5-26-20-11-19(23)16(10-18(20)14(2)12-22(26,3)4)13-24-25-21(28)15-6-8-17(27)9-7-15/h6-11,13-14,27H,5,12H2,1-4H3,(H,25,28)/b24-13-
InChIKeyMFISPKYMYFTUKS-CFRMEGHHSA-N
XLogP4.92
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50860573
N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-4-hydroxybenzamide
CID 124649236
3,5-dibromo-N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50861199
2,4-dichloro-N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50860928
N-[(Z)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50860149
4-chloro-N-[(Z)-[(4S)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]benzamide
CID 99886395
N-[(Z)-[(4S)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-4-methylbenzamide
CID 99886386
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50860670
N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide
CID 124649278
N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide
CID 50861833
N-[(E)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133203437
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-nitrobenzamide
CID 50862900

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide (CID 50860912) is N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide is CCN1c2cc(Cl)c(/C=N\NC(=O)c3ccc(O)cc3)cc2C(C)CC1(C)C.
What is the InChIKey of N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide?
The InChIKey is MFISPKYMYFTUKS-CFRMEGHHSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-5-26-20-11-19(23)16(10-18(20)14(2)12-22(26,3)4)13-24-25-21(28)15-6-8-17(27)9-7-15/h6-11,13-14,27H,5,12H2,1-4H3,(H,25,28)/b24-13-.
What are the key properties of N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide?
N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide has a molecular weight of 399.92 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 50860912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).