N'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide

C18H26N4O — CID 97301861

IUPACN'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide
SMILESCOc1cc(N[C@@H](C)CCC/N=C/N(C)C)c2ncccc2c1
InChIInChI=1S/C18H26N4O/c1-14(7-5-9-19-13-22(2)3)21-17-12-16(23-4)11-15-8-6-10-20-18(15)17/h6,8,10-14,21H,5,7,9H2,1-4H3/b19-13+/t14-/m0/s1
InChIKeyZRGJEIQZKOYPCK-ITRAFESCSA-N
MW314.43 g/mol
LogP3.41
Rot. Bonds8

About N'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide

N'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide (PubChem CID 97301861) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide
PubChem CID97301861
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide
SMILESCOc1cc(N[C@@H](C)CCC/N=C/N(C)C)c2ncccc2c1
InChIInChI=1S/C18H26N4O/c1-14(7-5-9-19-13-22(2)3)21-17-12-16(23-4)11-15-8-6-10-20-18(15)17/h6,8,10-14,21H,5,7,9H2,1-4H3/b19-13+/t14-/m0/s1
InChIKeyZRGJEIQZKOYPCK-ITRAFESCSA-N
XLogP3.41
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-heptan-2-yl-6-methoxyquinolin-8-amine
CID 70828579
N,N'-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]oxamide;dihydrochloride
CID 90664753
2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide
CID 14370815
1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea
CID 21115016
(4S)-1-N-acridin-9-yl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
CID 39070210
N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide
CID 171352046
3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride
CID 53324732
(2R)-2-amino-5-[4-[(6-methoxyquinolin-8-yl)amino]pentylcarbamoylamino]pentanoic acid
CID 70681420
1-[bis(4-methoxyphenyl)methylideneamino]-3-[4-[(6-methoxyquinolin-8-yl)amino]pentylcarbamoylamino]urea
CID 118713297
(5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one
CID 45485830
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methoxyphenyl)-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]acetamide
CID 42724213
1-[(4-chlorophenyl)-phenylmethyl]-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]urea
CID 118713307

Frequently Asked Questions

What is the IUPAC name of N'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide (CID 97301861) is N'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide is COc1cc(N[C@@H](C)CCC/N=C/N(C)C)c2ncccc2c1.
What is the InChIKey of N'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide?
The InChIKey is ZRGJEIQZKOYPCK-ITRAFESCSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(7-5-9-19-13-22(2)3)21-17-12-16(23-4)11-15-8-6-10-20-18(15)17/h6,8,10-14,21H,5,7,9H2,1-4H3/b19-13+/t14-/m0/s1.
What are the key properties of N'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide?
N'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide has a molecular weight of 314.43 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 97301861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).