1-isoquinolin-1-yl-N-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinolin-4-imine

C23H21N5 — CID 175811316

IUPAC1-isoquinolin-1-yl-N-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinolin-4-imine
SMILESC/N=C1\CCN(c2nccc3ccccc23)c2ccc(-c3cnn(C)c3)cc21
InChIInChI=1S/C23H21N5/c1-24-21-10-12-28(23-19-6-4-3-5-16(19)9-11-25-23)22-8-7-17(13-20(21)22)18-14-26-27(2)15-18/h3-9,11,13-15H,10,12H2,1-2H3/b24-21+
InChIKeyRJGCQFAFJYJQEB-DARPEHSRSA-N
MW367.46 g/mol
LogP4.60
Rot. Bonds2

About 1-isoquinolin-1-yl-N-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinolin-4-imine

1-isoquinolin-1-yl-N-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinolin-4-imine (PubChem CID 175811316) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 1-isoquinolin-1-yl-N-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinolin-4-imine.

Molecular Properties

Compound Name1-isoquinolin-1-yl-N-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinolin-4-imine
PubChem CID175811316
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name1-isoquinolin-1-yl-N-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinolin-4-imine
SMILESC/N=C1\CCN(c2nccc3ccccc23)c2ccc(-c3cnn(C)c3)cc21
InChIInChI=1S/C23H21N5/c1-24-21-10-12-28(23-19-6-4-3-5-16(19)9-11-25-23)22-8-7-17(13-20(21)22)18-14-26-27(2)15-18/h3-9,11,13-15H,10,12H2,1-2H3/b24-21+
InChIKeyRJGCQFAFJYJQEB-DARPEHSRSA-N
XLogP4.60
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-yl-N-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinolin-4-imine?
The IUPAC name of 1-isoquinolin-1-yl-N-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinolin-4-imine (CID 175811316) is 1-isoquinolin-1-yl-N-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinolin-4-imine.
What is the SMILES notation for 1-isoquinolin-1-yl-N-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinolin-4-imine?
The canonical SMILES for 1-isoquinolin-1-yl-N-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinolin-4-imine is C/N=C1\CCN(c2nccc3ccccc23)c2ccc(-c3cnn(C)c3)cc21.
What is the InChIKey of 1-isoquinolin-1-yl-N-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinolin-4-imine?
The InChIKey is RJGCQFAFJYJQEB-DARPEHSRSA-N. The full InChI is InChI=1S/C23H21N5/c1-24-21-10-12-28(23-19-6-4-3-5-16(19)9-11-25-23)22-8-7-17(13-20(21)22)18-14-26-27(2)15-18/h3-9,11,13-15H,10,12H2,1-2H3/b24-21+.
What are the key properties of 1-isoquinolin-1-yl-N-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinolin-4-imine?
1-isoquinolin-1-yl-N-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinolin-4-imine has a molecular weight of 367.46 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-yl-N-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinolin-4-imine is sourced from PubChem (CID 175811316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).