4-(1-cyclopropylethylamino)-7-[2-methoxy-4-(1-methylimidazol-2-yl)phenyl]cinnoline-3-carbonitrile

C25H24N6O — CID 71061256

IUPAC4-(1-cyclopropylethylamino)-7-[2-methoxy-4-(1-methylimidazol-2-yl)phenyl]cinnoline-3-carbonitrile
SMILESCOc1cc(-c2nccn2C)ccc1-c1ccc2c(NC(C)C3CC3)c(C#N)nnc2c1
InChIInChI=1S/C25H24N6O/c1-15(16-4-5-16)28-24-20-9-6-17(12-21(20)29-30-22(24)14-26)19-8-7-18(13-23(19)32-3)25-27-10-11-31(25)2/h6-13,15-16H,4-5H2,1-3H3,(H,28,29)
InChIKeyCWNOKLFDWZQPFS-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.79
Rot. Bonds6

About 4-(1-cyclopropylethylamino)-7-[2-methoxy-4-(1-methylimidazol-2-yl)phenyl]cinnoline-3-carbonitrile

4-(1-cyclopropylethylamino)-7-[2-methoxy-4-(1-methylimidazol-2-yl)phenyl]cinnoline-3-carbonitrile (PubChem CID 71061256) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 4-(1-cyclopropylethylamino)-7-[2-methoxy-4-(1-methylimidazol-2-yl)phenyl]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-(1-cyclopropylethylamino)-7-[2-methoxy-4-(1-methylimidazol-2-yl)phenyl]cinnoline-3-carbonitrile
PubChem CID71061256
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name4-(1-cyclopropylethylamino)-7-[2-methoxy-4-(1-methylimidazol-2-yl)phenyl]cinnoline-3-carbonitrile
SMILESCOc1cc(-c2nccn2C)ccc1-c1ccc2c(NC(C)C3CC3)c(C#N)nnc2c1
InChIInChI=1S/C25H24N6O/c1-15(16-4-5-16)28-24-20-9-6-17(12-21(20)29-30-22(24)14-26)19-8-7-18(13-23(19)32-3)25-27-10-11-31(25)2/h6-13,15-16H,4-5H2,1-3H3,(H,28,29)
InChIKeyCWNOKLFDWZQPFS-UHFFFAOYSA-N
XLogP4.79
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylethylamino)-7-[2-methoxy-4-(1-methylimidazol-2-yl)phenyl]cinnoline-3-carbonitrile?
The IUPAC name of 4-(1-cyclopropylethylamino)-7-[2-methoxy-4-(1-methylimidazol-2-yl)phenyl]cinnoline-3-carbonitrile (CID 71061256) is 4-(1-cyclopropylethylamino)-7-[2-methoxy-4-(1-methylimidazol-2-yl)phenyl]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-(1-cyclopropylethylamino)-7-[2-methoxy-4-(1-methylimidazol-2-yl)phenyl]cinnoline-3-carbonitrile?
The canonical SMILES for 4-(1-cyclopropylethylamino)-7-[2-methoxy-4-(1-methylimidazol-2-yl)phenyl]cinnoline-3-carbonitrile is COc1cc(-c2nccn2C)ccc1-c1ccc2c(NC(C)C3CC3)c(C#N)nnc2c1.
What is the InChIKey of 4-(1-cyclopropylethylamino)-7-[2-methoxy-4-(1-methylimidazol-2-yl)phenyl]cinnoline-3-carbonitrile?
The InChIKey is CWNOKLFDWZQPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-15(16-4-5-16)28-24-20-9-6-17(12-21(20)29-30-22(24)14-26)19-8-7-18(13-23(19)32-3)25-27-10-11-31(25)2/h6-13,15-16H,4-5H2,1-3H3,(H,28,29).
What are the key properties of 4-(1-cyclopropylethylamino)-7-[2-methoxy-4-(1-methylimidazol-2-yl)phenyl]cinnoline-3-carbonitrile?
4-(1-cyclopropylethylamino)-7-[2-methoxy-4-(1-methylimidazol-2-yl)phenyl]cinnoline-3-carbonitrile has a molecular weight of 424.51 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylethylamino)-7-[2-methoxy-4-(1-methylimidazol-2-yl)phenyl]cinnoline-3-carbonitrile is sourced from PubChem (CID 71061256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).