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

C27H24N6O — CID 163290837

IUPACN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,6-naphthyridin-8-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cncc5cccnc45)cc3n1)CN(C)CC2
InChIInChI=1S/C27H24N6O/c1-33-9-7-17-12-25(34-2)24(11-21(17)16-33)32-27-30-14-19-6-5-18(10-23(19)31-27)22-15-28-13-20-4-3-8-29-26(20)22/h3-6,8,10-15H,7,9,16H2,1-2H3,(H,30,31,32)
InChIKeyQFBOSDYRUCAIMY-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.98
Rot. Bonds4

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

N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,6-naphthyridin-8-yl)quinazolin-2-amine (PubChem CID 163290837) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,6-naphthyridin-8-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,6-naphthyridin-8-yl)quinazolin-2-amine
PubChem CID163290837
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,6-naphthyridin-8-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cncc5cccnc45)cc3n1)CN(C)CC2
InChIInChI=1S/C27H24N6O/c1-33-9-7-17-12-25(34-2)24(11-21(17)16-33)32-27-30-14-19-6-5-18(10-23(19)31-27)22-15-28-13-20-4-3-8-29-26(20)22/h3-6,8,10-15H,7,9,16H2,1-2H3,(H,30,31,32)
InChIKeyQFBOSDYRUCAIMY-UHFFFAOYSA-N
XLogP4.98
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(1,6-naphthyridin-8-yl)quinazolin-2-amine?
The IUPAC name of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,6-naphthyridin-8-yl)quinazolin-2-amine (CID 163290837) is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,6-naphthyridin-8-yl)quinazolin-2-amine.
What is the SMILES notation for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,6-naphthyridin-8-yl)quinazolin-2-amine?
The canonical SMILES for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,6-naphthyridin-8-yl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4cncc5cccnc45)cc3n1)CN(C)CC2.
What is the InChIKey of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,6-naphthyridin-8-yl)quinazolin-2-amine?
The InChIKey is QFBOSDYRUCAIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c1-33-9-7-17-12-25(34-2)24(11-21(17)16-33)32-27-30-14-19-6-5-18(10-23(19)31-27)22-15-28-13-20-4-3-8-29-26(20)22/h3-6,8,10-15H,7,9,16H2,1-2H3,(H,30,31,32).
What are the key properties of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,6-naphthyridin-8-yl)quinazolin-2-amine?
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,6-naphthyridin-8-yl)quinazolin-2-amine has a molecular weight of 448.53 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-(1,6-naphthyridin-8-yl)quinazolin-2-amine is sourced from PubChem (CID 163290837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).