3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide

C24H31N3O2 — CID 50862678

IUPAC3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
SMILESCCCN1c2cc(C)c(/C=N/NC(=O)c3cccc(O)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C24H31N3O2/c1-6-10-27-22-11-16(2)19(13-21(22)17(3)14-24(27,4)5)15-25-26-23(29)18-8-7-9-20(28)12-18/h7-9,11-13,15,17,28H,6,10,14H2,1-5H3,(H,26,29)/b25-15+
InChIKeySUVUUYDKRITCCF-MFKUBSTISA-N
MW393.53 g/mol
LogP4.97
Rot. Bonds5

About 3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide

3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide (PubChem CID 50862678) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
PubChem CID50862678
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
SMILESCCCN1c2cc(C)c(/C=N/NC(=O)c3cccc(O)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C24H31N3O2/c1-6-10-27-22-11-16(2)19(13-21(22)17(3)14-24(27,4)5)15-25-26-23(29)18-8-7-9-20(28)12-18/h7-9,11-13,15,17,28H,6,10,14H2,1-5H3,(H,26,29)/b25-15+
InChIKeySUVUUYDKRITCCF-MFKUBSTISA-N
XLogP4.97
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.97
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 3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide with MolForge

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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
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
3-bromo-N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50863341
2,4-dichloro-N-[(Z)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50862635
N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-nitrobenzamide
CID 133170583
3-chloro-N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50863444
N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-iodobenzamide
CID 50863276
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-nitrobenzamide
CID 50862900
3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide
CID 50862606
3-methoxy-N-[(E)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133170513

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide?
The IUPAC name of 3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide (CID 50862678) is 3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide?
The canonical SMILES for 3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide is CCCN1c2cc(C)c(/C=N/NC(=O)c3cccc(O)c3)cc2C(C)CC1(C)C.
What is the InChIKey of 3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide?
The InChIKey is SUVUUYDKRITCCF-MFKUBSTISA-N. The full InChI is InChI=1S/C24H31N3O2/c1-6-10-27-22-11-16(2)19(13-21(22)17(3)14-24(27,4)5)15-25-26-23(29)18-8-7-9-20(28)12-18/h7-9,11-13,15,17,28H,6,10,14H2,1-5H3,(H,26,29)/b25-15+.
What are the key properties of 3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide?
3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide has a molecular weight of 393.53 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide is sourced from PubChem (CID 50862678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).