N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,2,3,4-tetrahydroisoquinolin-8-yl)quinazolin-2-amine

C28H29N5O — CID 163291019

IUPACN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,2,3,4-tetrahydroisoquinolin-8-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cccc5c4CNCC5)cc3n1)CN(C)CC2
InChIInChI=1S/C28H29N5O/c1-33-11-9-19-14-27(34-2)26(13-22(19)17-33)32-28-30-15-21-7-6-20(12-25(21)31-28)23-5-3-4-18-8-10-29-16-24(18)23/h3-7,12-15,29H,8-11,16-17H2,1-2H3,(H,30,31,32)
InChIKeyVPUUQNSXZSNGBY-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.68
Rot. Bonds4

About N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,2,3,4-tetrahydroisoquinolin-8-yl)quinazolin-2-amine

N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,2,3,4-tetrahydroisoquinolin-8-yl)quinazolin-2-amine (PubChem CID 163291019) has the molecular formula C28H29N5O and a molecular weight of 451.57 g/mol. Its IUPAC name is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,2,3,4-tetrahydroisoquinolin-8-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,2,3,4-tetrahydroisoquinolin-8-yl)quinazolin-2-amine
PubChem CID163291019
Molecular FormulaC28H29N5O
Molecular Weight451.57 g/mol
Exact Mass451.24
IUPAC NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,2,3,4-tetrahydroisoquinolin-8-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cccc5c4CNCC5)cc3n1)CN(C)CC2
InChIInChI=1S/C28H29N5O/c1-33-11-9-19-14-27(34-2)26(13-22(19)17-33)32-28-30-15-21-7-6-20(12-25(21)31-28)23-5-3-4-18-8-10-29-16-24(18)23/h3-7,12-15,29H,8-11,16-17H2,1-2H3,(H,30,31,32)
InChIKeyVPUUQNSXZSNGBY-UHFFFAOYSA-N
XLogP4.68
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,2,3,4-tetrahydroisoquinolin-8-yl)quinazolin-2-amine?
The IUPAC name of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,2,3,4-tetrahydroisoquinolin-8-yl)quinazolin-2-amine (CID 163291019) is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,2,3,4-tetrahydroisoquinolin-8-yl)quinazolin-2-amine.
What is the SMILES notation for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,2,3,4-tetrahydroisoquinolin-8-yl)quinazolin-2-amine?
The canonical SMILES for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,2,3,4-tetrahydroisoquinolin-8-yl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4cccc5c4CNCC5)cc3n1)CN(C)CC2.
What is the InChIKey of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,2,3,4-tetrahydroisoquinolin-8-yl)quinazolin-2-amine?
The InChIKey is VPUUQNSXZSNGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O/c1-33-11-9-19-14-27(34-2)26(13-22(19)17-33)32-28-30-15-21-7-6-20(12-25(21)31-28)23-5-3-4-18-8-10-29-16-24(18)23/h3-7,12-15,29H,8-11,16-17H2,1-2H3,(H,30,31,32).
What are the key properties of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,2,3,4-tetrahydroisoquinolin-8-yl)quinazolin-2-amine?
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,2,3,4-tetrahydroisoquinolin-8-yl)quinazolin-2-amine has a molecular weight of 451.57 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,2,3,4-tetrahydroisoquinolin-8-yl)quinazolin-2-amine is sourced from PubChem (CID 163291019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).