7-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one

C28H28N6O2 — CID 163290808

IUPAC7-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOc1cc2c(cc1Nc1ncc3ccc(Nc4ccc5c(c4)C(=O)NCC5)cc3n1)CN(C)CC2
InChIInChI=1S/C28H28N6O2/c1-34-10-8-18-12-26(36-2)25(11-20(18)16-34)33-28-30-15-19-4-6-22(14-24(19)32-28)31-21-5-3-17-7-9-29-27(35)23(17)13-21/h3-6,11-15,31H,7-10,16H2,1-2H3,(H,29,35)(H,30,32,33)
InChIKeyZGCYDVVFTBCIBT-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.40
Rot. Bonds5

About 7-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one

7-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 163290808) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 7-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID163290808
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name7-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOc1cc2c(cc1Nc1ncc3ccc(Nc4ccc5c(c4)C(=O)NCC5)cc3n1)CN(C)CC2
InChIInChI=1S/C28H28N6O2/c1-34-10-8-18-12-26(36-2)25(11-20(18)16-34)33-28-30-15-19-4-6-22(14-24(19)32-28)31-21-5-3-17-7-9-29-27(35)23(17)13-21/h3-6,11-15,31H,7-10,16H2,1-2H3,(H,29,35)(H,30,32,33)
InChIKeyZGCYDVVFTBCIBT-UHFFFAOYSA-N
XLogP4.40
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one (CID 163290808) is 7-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one is COc1cc2c(cc1Nc1ncc3ccc(Nc4ccc5c(c4)C(=O)NCC5)cc3n1)CN(C)CC2.
What is the InChIKey of 7-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is ZGCYDVVFTBCIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-34-10-8-18-12-26(36-2)25(11-20(18)16-34)33-28-30-15-19-4-6-22(14-24(19)32-28)31-21-5-3-17-7-9-29-27(35)23(17)13-21/h3-6,11-15,31H,7-10,16H2,1-2H3,(H,29,35)(H,30,32,33).
What are the key properties of 7-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one?
7-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 480.57 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 163290808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).