N-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine

C19H23ClN4 — CID 131895500

IUPACN-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(Cn1ccnc1)NCc1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C19H23ClN4/c1-19(2,3)18(12-24-9-8-21-13-24)22-11-16-6-4-14-10-15(20)5-7-17(14)23-16/h4-10,13,18,22H,11-12H2,1-3H3
InChIKeyLAPLRUFBNBUZOY-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.29
Rot. Bonds5

About N-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine

N-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine (PubChem CID 131895500) has the molecular formula C19H23ClN4 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
PubChem CID131895500
Molecular FormulaC19H23ClN4
Molecular Weight342.87 g/mol
Exact Mass342.16
IUPAC NameN-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(Cn1ccnc1)NCc1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C19H23ClN4/c1-19(2,3)18(12-24-9-8-21-13-24)22-11-16-6-4-14-10-15(20)5-7-17(14)23-16/h4-10,13,18,22H,11-12H2,1-3H3
InChIKeyLAPLRUFBNBUZOY-UHFFFAOYSA-N
XLogP4.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 43749470
N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 43749540
N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine
CID 107445275
N-[(2-bromo-4-methylphenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 115556703
1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine
CID 43749580
1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43749571
N-[(2,6-difluoro-3-methylphenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine;formic acid
CID 154912364
1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine
CID 131951878
4-chloro-3-fluoro-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)benzamide
CID 131909336
6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 99938199
3-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 75373604
1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea
CID 93233544

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine (CID 131895500) is N-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine is CC(C)(C)C(Cn1ccnc1)NCc1ccc2cc(Cl)ccc2n1.
What is the InChIKey of N-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
The InChIKey is LAPLRUFBNBUZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4/c1-19(2,3)18(12-24-9-8-21-13-24)22-11-16-6-4-14-10-15(20)5-7-17(14)23-16/h4-10,13,18,22H,11-12H2,1-3H3.
What are the key properties of N-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
N-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine has a molecular weight of 342.87 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 131895500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).