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

C24H28N4S — CID 141127278

IUPACN,N-dimethyl-1-[3-[3-(4-methyl-2-thiophen-2-ylquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine
SMILESCc1cc(-c2cccs2)nc2cc(N3C=CN(C4CC(CN(C)C)C4)C3)ccc12
InChIInChI=1S/C24H28N4S/c1-17-11-23(24-5-4-10-29-24)25-22-14-19(6-7-21(17)22)27-8-9-28(16-27)20-12-18(13-20)15-26(2)3/h4-11,14,18,20H,12-13,15-16H2,1-3H3
InChIKeyLKSLUOMBGACNHO-UHFFFAOYSA-N
MW404.58 g/mol
LogP5.16
Rot. Bonds5

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

N,N-dimethyl-1-[3-[3-(4-methyl-2-thiophen-2-ylquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine (PubChem CID 141127278) has the molecular formula C24H28N4S and a molecular weight of 404.58 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[3-(4-methyl-2-thiophen-2-ylquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[3-(4-methyl-2-thiophen-2-ylquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine
PubChem CID141127278
Molecular FormulaC24H28N4S
Molecular Weight404.58 g/mol
Exact Mass404.20
IUPAC NameN,N-dimethyl-1-[3-[3-(4-methyl-2-thiophen-2-ylquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine
SMILESCc1cc(-c2cccs2)nc2cc(N3C=CN(C4CC(CN(C)C)C4)C3)ccc12
InChIInChI=1S/C24H28N4S/c1-17-11-23(24-5-4-10-29-24)25-22-14-19(6-7-21(17)22)27-8-9-28(16-27)20-12-18(13-20)15-26(2)3/h4-11,14,18,20H,12-13,15-16H2,1-3H3
InChIKeyLKSLUOMBGACNHO-UHFFFAOYSA-N
XLogP5.16
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.58
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-2H-imidazol-1-yl]-2-phenylquinoline-4-carbonyl fluoride
CID 174507817
3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 66676601
N-[1-[(dimethylamino)methyl]cyclobutyl]-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-thiophen-2-ylquinolin-7-amine
CID 90884090
2-chloro-4-methyl-6-thiophen-2-ylpyridine
CID 142254642
3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine
CID 116892964
2,4-dimethyl-6-thiophen-2-ylpyrimidine
CID 15626100
N-[3-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-8-yl]-4-methyl-2-phenylquinolin-7-amine
CID 69305148
2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine
CID 80952104
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119559767
3-(6-chloro-2-thiophen-2-ylquinolin-7-yl)-1-[3-[(dimethylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87102348
[4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone
CID 111434240
4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one
CID 158550391

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-[3-(4-methyl-2-thiophen-2-ylquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-[3-(4-methyl-2-thiophen-2-ylquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine (CID 141127278) is N,N-dimethyl-1-[3-[3-(4-methyl-2-thiophen-2-ylquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-[3-(4-methyl-2-thiophen-2-ylquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-[3-(4-methyl-2-thiophen-2-ylquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine is Cc1cc(-c2cccs2)nc2cc(N3C=CN(C4CC(CN(C)C)C4)C3)ccc12.
What is the InChIKey of N,N-dimethyl-1-[3-[3-(4-methyl-2-thiophen-2-ylquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine?
The InChIKey is LKSLUOMBGACNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4S/c1-17-11-23(24-5-4-10-29-24)25-22-14-19(6-7-21(17)22)27-8-9-28(16-27)20-12-18(13-20)15-26(2)3/h4-11,14,18,20H,12-13,15-16H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[3-[3-(4-methyl-2-thiophen-2-ylquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine?
N,N-dimethyl-1-[3-[3-(4-methyl-2-thiophen-2-ylquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine has a molecular weight of 404.58 g/mol, XLogP of 5.16, 5 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-thiophen-2-ylquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine is sourced from PubChem (CID 141127278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).