N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine

C26H24N5O+ — CID 69304821

IUPACN-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine
SMILESCc1cc(Oc2ccccc2)nc2cc(N(C3CCC3)[N+]34C=CN=CC3=CN=C4)ccc12
InChIInChI=1S/C26H24N5O/c1-19-14-26(32-23-8-3-2-4-9-23)29-25-15-21(10-11-24(19)25)30(20-6-5-7-20)31-13-12-27-16-22(31)17-28-18-31/h2-4,8-18,20H,5-7H2,1H3/q+1
InChIKeyJJOLMNAQGZLMDD-UHFFFAOYSA-N
MW422.51 g/mol
LogP5.87
Rot. Bonds5

About N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine

N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine (PubChem CID 69304821) has the molecular formula C26H24N5O+ and a molecular weight of 422.51 g/mol. Its IUPAC name is N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine.

Molecular Properties

Compound NameN-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine
PubChem CID69304821
Molecular FormulaC26H24N5O+
Molecular Weight422.51 g/mol
Exact Mass422.20
IUPAC NameN-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine
SMILESCc1cc(Oc2ccccc2)nc2cc(N(C3CCC3)[N+]34C=CN=CC3=CN=C4)ccc12
InChIInChI=1S/C26H24N5O/c1-19-14-26(32-23-8-3-2-4-9-23)29-25-15-21(10-11-24(19)25)30(20-6-5-7-20)31-13-12-27-16-22(31)17-28-18-31/h2-4,8-18,20H,5-7H2,1H3/q+1
InChIKeyJJOLMNAQGZLMDD-UHFFFAOYSA-N
XLogP5.87
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine with MolForge

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Related Compounds

N-cyclobutyl-N-(4-naphthalen-2-yloxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 91600724
N-cyclobutyl-N-(3-methoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 90894557
N-cyclobutyl-N-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 91471356
N-cyclobutyl-N-[4-(2-fluorophenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 91409757
N-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 91069222
N-cyclobutyl-N-[3-[(3,4,5-trifluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 123306926
N-[3-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]-N-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 123318326
4-[1-[imidazo[1,5-a]pyrazin-4-ium-4-yl-(2-phenylquinolin-7-yl)amino]cyclobutyl]morpholine-3-thiol
CID 123688947
N,N-dimethyl-1-[3-[3-(4-methyl-2-phenoxyquinolin-7-yl)-2H-imidazol-1-yl]cyclobutyl]methanamine
CID 69327155
N,N,2,4-tetramethylquinolin-7-amine
CID 177173619
O-(4-methylquinolin-2-yl)hydroxylamine
CID 121366650
N-[3-[4-(3-phenylphenoxy)phenyl]cyclobutyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 91106678

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine?
The IUPAC name of N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine (CID 69304821) is N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine.
What is the SMILES notation for N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine?
The canonical SMILES for N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine is Cc1cc(Oc2ccccc2)nc2cc(N(C3CCC3)[N+]34C=CN=CC3=CN=C4)ccc12.
What is the InChIKey of N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine?
The InChIKey is JJOLMNAQGZLMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N5O/c1-19-14-26(32-23-8-3-2-4-9-23)29-25-15-21(10-11-24(19)25)30(20-6-5-7-20)31-13-12-27-16-22(31)17-28-18-31/h2-4,8-18,20H,5-7H2,1H3/q+1.
What are the key properties of N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine?
N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine has a molecular weight of 422.51 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine is sourced from PubChem (CID 69304821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).