N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,5-naphthyridin-3-yl)quinazolin-2-amine

C27H24N6O — CID 163290988

IUPACN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,5-naphthyridin-3-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cnc5cccnc5c4)cc3n1)CN(C)CC2
InChIInChI=1S/C27H24N6O/c1-33-9-7-18-13-26(34-2)25(12-21(18)16-33)32-27-30-14-19-6-5-17(10-23(19)31-27)20-11-24-22(29-15-20)4-3-8-28-24/h3-6,8,10-15H,7,9,16H2,1-2H3,(H,30,31,32)
InChIKeyYGJDGAHFYHFAQD-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.98
Rot. Bonds4

About N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,5-naphthyridin-3-yl)quinazolin-2-amine

N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,5-naphthyridin-3-yl)quinazolin-2-amine (PubChem CID 163290988) 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-(1,5-naphthyridin-3-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,5-naphthyridin-3-yl)quinazolin-2-amine
PubChem CID163290988
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,5-naphthyridin-3-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cnc5cccnc5c4)cc3n1)CN(C)CC2
InChIInChI=1S/C27H24N6O/c1-33-9-7-18-13-26(34-2)25(12-21(18)16-33)32-27-30-14-19-6-5-17(10-23(19)31-27)20-11-24-22(29-15-20)4-3-8-28-24/h3-6,8,10-15H,7,9,16H2,1-2H3,(H,30,31,32)
InChIKeyYGJDGAHFYHFAQD-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-(1,5-naphthyridin-3-yl)quinazolin-2-amine?
The IUPAC name of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,5-naphthyridin-3-yl)quinazolin-2-amine (CID 163290988) is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,5-naphthyridin-3-yl)quinazolin-2-amine.
What is the SMILES notation for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,5-naphthyridin-3-yl)quinazolin-2-amine?
The canonical SMILES for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,5-naphthyridin-3-yl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4cnc5cccnc5c4)cc3n1)CN(C)CC2.
What is the InChIKey of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,5-naphthyridin-3-yl)quinazolin-2-amine?
The InChIKey is YGJDGAHFYHFAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c1-33-9-7-18-13-26(34-2)25(12-21(18)16-33)32-27-30-14-19-6-5-17(10-23(19)31-27)20-11-24-22(29-15-20)4-3-8-28-24/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-(1,5-naphthyridin-3-yl)quinazolin-2-amine?
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1,5-naphthyridin-3-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-(1,5-naphthyridin-3-yl)quinazolin-2-amine is sourced from PubChem (CID 163290988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).