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

C25H25N5O — CID 163290923

IUPACN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(4-methyl-3-pyridinyl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cnccc4C)cc3n1)CN(C)CC2
InChIInChI=1S/C25H25N5O/c1-16-6-8-26-14-21(16)18-4-5-19-13-27-25(28-22(19)10-18)29-23-11-20-15-30(2)9-7-17(20)12-24(23)31-3/h4-6,8,10-14H,7,9,15H2,1-3H3,(H,27,28,29)
InChIKeyMEVWJIJNYZVLKG-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.74
Rot. Bonds4

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

N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(4-methyl-3-pyridinyl)quinazolin-2-amine (PubChem CID 163290923) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(4-methyl-3-pyridinyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(4-methyl-3-pyridinyl)quinazolin-2-amine
PubChem CID163290923
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(4-methyl-3-pyridinyl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cnccc4C)cc3n1)CN(C)CC2
InChIInChI=1S/C25H25N5O/c1-16-6-8-26-14-21(16)18-4-5-19-13-27-25(28-22(19)10-18)29-23-11-20-15-30(2)9-7-17(20)12-24(23)31-3/h4-6,8,10-14H,7,9,15H2,1-3H3,(H,27,28,29)
InChIKeyMEVWJIJNYZVLKG-UHFFFAOYSA-N
XLogP4.74
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
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-(4-methyl-3-pyridinyl)quinazolin-2-amine?
The IUPAC name of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(4-methyl-3-pyridinyl)quinazolin-2-amine (CID 163290923) is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(4-methyl-3-pyridinyl)quinazolin-2-amine.
What is the SMILES notation for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(4-methyl-3-pyridinyl)quinazolin-2-amine?
The canonical SMILES for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(4-methyl-3-pyridinyl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4cnccc4C)cc3n1)CN(C)CC2.
What is the InChIKey of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(4-methyl-3-pyridinyl)quinazolin-2-amine?
The InChIKey is MEVWJIJNYZVLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-16-6-8-26-14-21(16)18-4-5-19-13-27-25(28-22(19)10-18)29-23-11-20-15-30(2)9-7-17(20)12-24(23)31-3/h4-6,8,10-14H,7,9,15H2,1-3H3,(H,27,28,29).
What are the key properties of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(4-methyl-3-pyridinyl)quinazolin-2-amine?
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(4-methyl-3-pyridinyl)quinazolin-2-amine has a molecular weight of 411.51 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 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-(4-methyl-3-pyridinyl)quinazolin-2-amine is sourced from PubChem (CID 163290923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).