1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

C25H23N5O — CID 71153136

IUPAC1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc4c3CN(C(C)=O)CC4)cc12
InChIInChI=1S/C25H23N5O/c1-16(31)30-12-10-17-5-3-7-20(22(17)15-30)18-8-9-23-21(13-18)25(26-2)29-24(28-23)19-6-4-11-27-14-19/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,26,28,29)
InChIKeyZWFMGRHASQBQPO-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.31
Rot. Bonds3

About 1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (PubChem CID 71153136) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.

Molecular Properties

Compound Name1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
PubChem CID71153136
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc4c3CN(C(C)=O)CC4)cc12
InChIInChI=1S/C25H23N5O/c1-16(31)30-12-10-17-5-3-7-20(22(17)15-30)18-8-9-23-21(13-18)25(26-2)29-24(28-23)19-6-4-11-27-14-19/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,26,28,29)
InChIKeyZWFMGRHASQBQPO-UHFFFAOYSA-N
XLogP4.31
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The IUPAC name of 1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (CID 71153136) is 1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.
What is the SMILES notation for 1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The canonical SMILES for 1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is CNc1nc(-c2cccnc2)nc2ccc(-c3cccc4c3CN(C(C)=O)CC4)cc12.
What is the InChIKey of 1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The InChIKey is ZWFMGRHASQBQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-16(31)30-12-10-17-5-3-7-20(22(17)15-30)18-8-9-23-21(13-18)25(26-2)29-24(28-23)19-6-4-11-27-14-19/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,26,28,29).
What are the key properties of 1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone has a molecular weight of 409.49 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is sourced from PubChem (CID 71153136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).