6,7-dimethoxy-2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine

C25H25N5O2 — CID 18765184

IUPAC6,7-dimethoxy-2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine
SMILESCOc1cc2nc(N3CCc4c(C)cccc4C3)nc(N)c2c(-c2ccccn2)c1OC
InChIInChI=1S/C25H25N5O2/c1-15-7-6-8-16-14-30(12-10-17(15)16)25-28-19-13-20(31-2)23(32-3)21(22(19)24(26)29-25)18-9-4-5-11-27-18/h4-9,11,13H,10,12,14H2,1-3H3,(H2,26,28,29)
InChIKeyIAFCWEUTXVGEIH-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.16
Rot. Bonds4

About 6,7-dimethoxy-2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine

6,7-dimethoxy-2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine (PubChem CID 18765184) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine
PubChem CID18765184
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name6,7-dimethoxy-2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine
SMILESCOc1cc2nc(N3CCc4c(C)cccc4C3)nc(N)c2c(-c2ccccn2)c1OC
InChIInChI=1S/C25H25N5O2/c1-15-7-6-8-16-14-30(12-10-17(15)16)25-28-19-13-20(31-2)23(32-3)21(22(19)24(26)29-25)18-9-4-5-11-27-18/h4-9,11,13H,10,12,14H2,1-3H3,(H2,26,28,29)
InChIKeyIAFCWEUTXVGEIH-UHFFFAOYSA-N
XLogP4.16
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine (CID 18765184) is 6,7-dimethoxy-2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine is COc1cc2nc(N3CCc4c(C)cccc4C3)nc(N)c2c(-c2ccccn2)c1OC.
What is the InChIKey of 6,7-dimethoxy-2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine?
The InChIKey is IAFCWEUTXVGEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-15-7-6-8-16-14-30(12-10-17(15)16)25-28-19-13-20(31-2)23(32-3)21(22(19)24(26)29-25)18-9-4-5-11-27-18/h4-9,11,13H,10,12,14H2,1-3H3,(H2,26,28,29).
What are the key properties of 6,7-dimethoxy-2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine?
6,7-dimethoxy-2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine has a molecular weight of 427.51 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-pyridin-2-ylquinazolin-4-amine is sourced from PubChem (CID 18765184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).