6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine

C56H56N16 — CID 158594649

IUPAC6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
SMILESCc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1
InChIInChI=1S/2C10H10N2.4C9H9N3/c1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-8(4-6)11-5-12-9(7)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6/h2*2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12)
InChIKeyHUWIPUBONQHZNJ-UHFFFAOYSA-N
MW953.18 g/mol
LogP10.33
Rot. Bonds

About 6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine

6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine (PubChem CID 158594649) has the molecular formula C56H56N16 and a molecular weight of 953.18 g/mol. Its IUPAC name is 6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
PubChem CID158594649
Molecular FormulaC56H56N16
Molecular Weight953.18 g/mol
Exact Mass952.49
IUPAC Name6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
SMILESCc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1
InChIInChI=1S/2C10H10N2.4C9H9N3/c1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-8(4-6)11-5-12-9(7)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6/h2*2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12)
InChIKeyHUWIPUBONQHZNJ-UHFFFAOYSA-N
XLogP10.33
TPSA285.02 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500953.18
LogP ≤ 510.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?
The IUPAC name of 6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine (CID 158594649) is 6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine.
What is the SMILES notation for 6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?
The canonical SMILES for 6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine is Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.
What is the InChIKey of 6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?
The InChIKey is HUWIPUBONQHZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H10N2.4C9H9N3/c1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-8(4-6)11-5-12-9(7)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6/h2*2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12).
What are the key properties of 6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?
6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine has a molecular weight of 953.18 g/mol, XLogP of 10.33, 0 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine is sourced from PubChem (CID 158594649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).