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

C24H26ClN3O3 — CID 124648739

IUPACN-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N/N=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)oc12
InChIInChI=1S/C24H26ClN3O3/c1-14-12-24(2,3)28(4)19-11-18(25)16(9-17(14)19)13-26-27-23(29)21-10-15-7-6-8-20(30-5)22(15)31-21/h6-11,13-14H,12H2,1-5H3,(H,27,29)/b26-13-/t14-/m1/s1
InChIKeyDVERUFWFKBFVNH-CWYRIDLXSA-N
MW439.94 g/mol
LogP5.58
Rot. Bonds4

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

N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 124648739) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID124648739
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC NameN-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N/N=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)oc12
InChIInChI=1S/C24H26ClN3O3/c1-14-12-24(2,3)28(4)19-11-18(25)16(9-17(14)19)13-26-27-23(29)21-10-15-7-6-8-20(30-5)22(15)31-21/h6-11,13-14H,12H2,1-5H3,(H,27,29)/b26-13-/t14-/m1/s1
InChIKeyDVERUFWFKBFVNH-CWYRIDLXSA-N
XLogP5.58
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.94
LogP ≤ 55.58
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-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-[(E)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133203437
N-[(E)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide
CID 50859123
N-[(E)-[(4S)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-4-iodo-3-methoxybenzamide
CID 99886480
4-chloro-N-[(Z)-[(4S)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]benzamide
CID 99886395
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-[(Z)-[(4S)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-4-methylbenzamide
CID 99886386
3,4-dichloro-N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50859836
N-[(E)-[(4S)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]thiophene-2-carboxamide
CID 99886455
N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 99886552
N-[(E)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 133203499
N-[(Z)-[(4S)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 99886553

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]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide (CID 124648739) is N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)N/N=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)oc12.
What is the InChIKey of N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is DVERUFWFKBFVNH-CWYRIDLXSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-14-12-24(2,3)28(4)19-11-18(25)16(9-17(14)19)13-26-27-23(29)21-10-15-7-6-8-20(30-5)22(15)31-21/h6-11,13-14H,12H2,1-5H3,(H,27,29)/b26-13-/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]-7-methoxy-1-benzofuran-2-carboxamide?
N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 439.94 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 124648739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).