4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]morpholine chloride

C29H28ClN5O — CID 87101730

IUPAC4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]morpholine chloride
SMILESC1=C[NH+]2C(c3ccc4ccc(-c5ccccc5)nc4c3)=NC(C3CC(N4CCOCC4)C3)=C2C=N1.[Cl-]
InChIInChI=1S/C29H27N5O.ClH/c1-2-4-20(5-3-1)25-9-8-21-6-7-22(18-26(21)31-25)29-32-28(27-19-30-10-11-34(27)29)23-16-24(17-23)33-12-14-35-15-13-33;/h1-11,18-19,23-24H,12-17H2;1H
InChIKeyDGMVZQRLVXERGD-UHFFFAOYSA-N
MW498.03 g/mol
LogP0.43
Rot. Bonds4

About 4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]morpholine chloride

4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]morpholine chloride (PubChem CID 87101730) has the molecular formula C29H28ClN5O and a molecular weight of 498.03 g/mol. Its IUPAC name is 4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]morpholine chloride.

Molecular Properties

Compound Name4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]morpholine chloride
PubChem CID87101730
Molecular FormulaC29H28ClN5O
Molecular Weight498.03 g/mol
Exact Mass497.20
IUPAC Name4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]morpholine chloride
SMILESC1=C[NH+]2C(c3ccc4ccc(-c5ccccc5)nc4c3)=NC(C3CC(N4CCOCC4)C3)=C2C=N1.[Cl-]
InChIInChI=1S/C29H27N5O.ClH/c1-2-4-20(5-3-1)25-9-8-21-6-7-22(18-26(21)31-25)29-32-28(27-19-30-10-11-34(27)29)23-16-24(17-23)33-12-14-35-15-13-33;/h1-11,18-19,23-24H,12-17H2;1H
InChIKeyDGMVZQRLVXERGD-UHFFFAOYSA-N
XLogP0.43
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.03
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]morpholine chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]piperazine-1-carboxylate chloride
CID 87106968
(3R)-1-[3-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]pyrrolidin-3-ol
CID 87470196
7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
CID 143120587
1-(2-phenylquinolin-7-yl)-3-[3-(4-sulfanylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 163615088
N-imidazo[1,5-a]pyrazin-4-ium-4-yl-2-phenyl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclobutyl]quinolin-7-amine
CID 91584766
3-(3-morpholin-4-ylcyclobutyl)-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71763839
3-(4-methyl-2-phenylquinolin-7-yl)-1-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87101949
7-[8-chloro-7-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-8H-imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
CID 130348840
4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride
CID 122554560
ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine
CID 144714319
1-[3-(2-methoxyethylamino)cyclobutyl]-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87101867
6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol
CID 87102548

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]morpholine chloride?
The IUPAC name of 4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]morpholine chloride (CID 87101730) is 4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]morpholine chloride.
What is the SMILES notation for 4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]morpholine chloride?
The canonical SMILES for 4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]morpholine chloride is C1=C[NH+]2C(c3ccc4ccc(-c5ccccc5)nc4c3)=NC(C3CC(N4CCOCC4)C3)=C2C=N1.[Cl-].
What is the InChIKey of 4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]morpholine chloride?
The InChIKey is DGMVZQRLVXERGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O.ClH/c1-2-4-20(5-3-1)25-9-8-21-6-7-22(18-26(21)31-25)29-32-28(27-19-30-10-11-34(27)29)23-16-24(17-23)33-12-14-35-15-13-33;/h1-11,18-19,23-24H,12-17H2;1H.
What are the key properties of 4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]morpholine chloride?
4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]morpholine chloride has a molecular weight of 498.03 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(2-phenylquinolin-7-yl)-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]morpholine chloride is sourced from PubChem (CID 87101730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).