N,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine

C26H30N4O — CID 69327155

IUPACN,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine
SMILESCc1cc(Oc2ccccc2)nc2cc(N3C=CN(C4CC(CN(C)C)C4)C3)ccc12
InChIInChI=1S/C26H30N4O/c1-19-13-26(31-23-7-5-4-6-8-23)27-25-16-21(9-10-24(19)25)29-11-12-30(18-29)22-14-20(15-22)17-28(2)3/h4-13,16,20,22H,14-15,17-18H2,1-3H3
InChIKeyWRZYWYVAPDKXOM-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.23
Rot. Bonds6

About N,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine

N,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine (PubChem CID 69327155) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine
PubChem CID69327155
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC NameN,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine
SMILESCc1cc(Oc2ccccc2)nc2cc(N3C=CN(C4CC(CN(C)C)C4)C3)ccc12
InChIInChI=1S/C26H30N4O/c1-19-13-26(31-23-7-5-4-6-8-23)27-25-16-21(9-10-24(19)25)29-11-12-30(18-29)22-14-20(15-22)17-28(2)3/h4-13,16,20,22H,14-15,17-18H2,1-3H3
InChIKeyWRZYWYVAPDKXOM-UHFFFAOYSA-N
XLogP5.23
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[3-[3-(4-methyl-2-thiophen-2-ylquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine
CID 141127278
7-[3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-2H-imidazol-1-yl]-2-phenylquinoline-4-carbonyl fluoride
CID 174507817
7-(3-cyclobutyl-2H-imidazol-1-yl)-8-fluoro-2-phenoxyquinoline
CID 174522072
N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine
CID 69304821
N-[3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-8-yl]-4-methyl-2-phenylquinolin-7-amine
CID 69305148
O-(4-methylquinolin-2-yl)hydroxylamine
CID 121366650
ethane;2-ethoxy-4-methylquinoline
CID 142037221
4-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 69305769
2-phenoxyquinolin-4-amine
CID 158312324
4-(chloromethyl)-2-(4-methylphenoxy)quinoline
CID 63446185
4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
7-bromo-2-methoxy-4-methylquinoline
CID 14570305

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine (CID 69327155) is N,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine is Cc1cc(Oc2ccccc2)nc2cc(N3C=CN(C4CC(CN(C)C)C4)C3)ccc12.
What is the InChIKey of N,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine?
The InChIKey is WRZYWYVAPDKXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-19-13-26(31-23-7-5-4-6-8-23)27-25-16-21(9-10-24(19)25)29-11-12-30(18-29)22-14-20(15-22)17-28(2)3/h4-13,16,20,22H,14-15,17-18H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine?
N,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine has a molecular weight of 414.55 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine is sourced from PubChem (CID 69327155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).