N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide

C21H27N3O3 — CID 50861871

IUPACN-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide
SMILESCCN1c2cc(OC)c(/C=N/NC(=O)c3ccco3)cc2C(C)CC1(C)C
InChIInChI=1S/C21H27N3O3/c1-6-24-17-11-19(26-5)15(10-16(17)14(2)12-21(24,3)4)13-22-23-20(25)18-8-7-9-27-18/h7-11,13-14H,6,12H2,1-5H3,(H,23,25)/b22-13+
InChIKeyPTTRTBLNAOHWKL-LPYMAVHISA-N
MW369.47 g/mol
LogP4.16
Rot. Bonds5

About N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide

N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide (PubChem CID 50861871) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide
PubChem CID50861871
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide
SMILESCCN1c2cc(OC)c(/C=N/NC(=O)c3ccco3)cc2C(C)CC1(C)C
InChIInChI=1S/C21H27N3O3/c1-6-24-17-11-19(26-5)15(10-16(17)14(2)12-21(24,3)4)13-22-23-20(25)18-8-7-9-27-18/h7-11,13-14H,6,12H2,1-5H3,(H,23,25)/b22-13+
InChIKeyPTTRTBLNAOHWKL-LPYMAVHISA-N
XLogP4.16
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide
CID 50860496
N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide
CID 50861833
[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
CID 50861940
N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 50862000
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 50860529
N-[(E)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide
CID 50859123
N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
CID 50863863
2-methoxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide
CID 50863864
1-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-(2-methoxyphenyl)urea
CID 50861519
(4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde
CID 99130482
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide
CID 50860662
N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-fluorobenzamide
CID 50861279

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide (CID 50861871) is N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide is CCN1c2cc(OC)c(/C=N/NC(=O)c3ccco3)cc2C(C)CC1(C)C.
What is the InChIKey of N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide?
The InChIKey is PTTRTBLNAOHWKL-LPYMAVHISA-N. The full InChI is InChI=1S/C21H27N3O3/c1-6-24-17-11-19(26-5)15(10-16(17)14(2)12-21(24,3)4)13-22-23-20(25)18-8-7-9-27-18/h7-11,13-14H,6,12H2,1-5H3,(H,23,25)/b22-13+.
What are the key properties of N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide?
N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 50861871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).