(Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide

C29H42N6O — CID 142497829

IUPAC(Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide
SMILES[H]/N=C(/C=C\C(=N\[H])N(C)C1CC(C)(C)NC(C)(C)C1)c1cc2c(N3CCOCC3)cc(C)nc2cc1C
InChIInChI=1S/C29H42N6O/c1-19-14-25-23(26(15-20(2)32-25)35-10-12-36-13-11-35)16-22(19)24(30)8-9-27(31)34(7)21-17-28(3,4)33-29(5,6)18-21/h8-9,14-16,21,30-31,33H,10-13,17-18H2,1-7H3/b9-8-,30-24-,31-27-
InChIKeyXHKWSWJJDKCZPU-BOECOQRESA-N
MW490.70 g/mol
LogP4.83
Rot. Bonds5

About (Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide

(Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide (PubChem CID 142497829) has the molecular formula C29H42N6O and a molecular weight of 490.70 g/mol. Its IUPAC name is (Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide.

Molecular Properties

Compound Name(Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide
PubChem CID142497829
Molecular FormulaC29H42N6O
Molecular Weight490.70 g/mol
Exact Mass490.34
IUPAC Name(Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide
SMILES[H]/N=C(/C=C\C(=N\[H])N(C)C1CC(C)(C)NC(C)(C)C1)c1cc2c(N3CCOCC3)cc(C)nc2cc1C
InChIInChI=1S/C29H42N6O/c1-19-14-25-23(26(15-20(2)32-25)35-10-12-36-13-11-35)16-22(19)24(30)8-9-27(31)34(7)21-17-28(3,4)33-29(5,6)18-21/h8-9,14-16,21,30-31,33H,10-13,17-18H2,1-7H3/b9-8-,30-24-,31-27-
InChIKeyXHKWSWJJDKCZPU-BOECOQRESA-N
XLogP4.83
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.70
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide with MolForge

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Related Compounds

N-(2-Morpholin-4-ylethyl)benzo(g)quinolin-4-amine
CID 182791
2-methyl-N-(2-morpholin-4-ylethyl)benzo[h]quinolin-4-amine
CID 709461
Benzo(g)quinolin-4-amine, N-(3-(4-morpholinyl)propyl)-
CID 181834
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 10873966
2-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 10893784
2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 11068428
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine
CID 44421930
N-(3-morpholin-4-ylpropyl)-2-naphthalen-2-ylquinolin-4-amine
CID 44421931
N',N'-dimethyl-N-[2-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]quinolin-4-yl]propane-1,3-diamine
CID 44421942
N-(2-morpholin-4-ylethyl)-2-[3-[(3-morpholin-4-ylpropylamino)methyl]phenyl]quinolin-4-amine
CID 44421969
N',N'-dimethyl-N-[2-[3-[(3-morpholin-4-ylpropylamino)methyl]phenyl]quinolin-4-yl]propane-1,3-diamine
CID 44421970
N',N'-dimethyl-N-[[3-[4-(2-morpholin-4-ylethylamino)quinolin-2-yl]phenyl]methyl]propane-1,3-diamine
CID 44422000

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide?
The IUPAC name of (Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide (CID 142497829) is (Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide.
What is the SMILES notation for (Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide?
The canonical SMILES for (Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide is [H]/N=C(/C=C\C(=N\[H])N(C)C1CC(C)(C)NC(C)(C)C1)c1cc2c(N3CCOCC3)cc(C)nc2cc1C.
What is the InChIKey of (Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide?
The InChIKey is XHKWSWJJDKCZPU-BOECOQRESA-N. The full InChI is InChI=1S/C29H42N6O/c1-19-14-25-23(26(15-20(2)32-25)35-10-12-36-13-11-35)16-22(19)24(30)8-9-27(31)34(7)21-17-28(3,4)33-29(5,6)18-21/h8-9,14-16,21,30-31,33H,10-13,17-18H2,1-7H3/b9-8-,30-24-,31-27-.
What are the key properties of (Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide?
(Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide has a molecular weight of 490.70 g/mol, XLogP of 4.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,7-dimethyl-4-morpholin-4-ylquinolin-6-yl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide is sourced from PubChem (CID 142497829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).