6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine

C102H104FN29O3 — CID 159330648

IUPAC6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
SMILESCc1cc2c(N)nccc2cc1F.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1
InChIInChI=1S/C10H9FN2.2C10H10N2.C9H10N4.C9H9N3O.4C9H9N3.2C9H10N2O/c1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-7-8(4-6)11-5-12-9(7)10;2*1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6/h2-5H,1H3,(H2,12,13);2*2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12,13);2*2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2*2-4H,5H2,1H3,(H2,10,11)
InChIKeyLEXVPCPBPNKUKE-UHFFFAOYSA-N
MW1803.15 g/mol
LogP17.06
Rot. Bonds1

About 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine

6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine (PubChem CID 159330648) has the molecular formula C102H104FN29O3 and a molecular weight of 1803.15 g/mol. Its IUPAC name is 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
PubChem CID159330648
Molecular FormulaC102H104FN29O3
Molecular Weight1803.15 g/mol
Exact Mass1801.89
IUPAC Name6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
SMILESCc1cc2c(N)nccc2cc1F.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1
InChIInChI=1S/C10H9FN2.2C10H10N2.C9H10N4.C9H9N3O.4C9H9N3.2C9H10N2O/c1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-7-8(4-6)11-5-12-9(7)10;2*1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6/h2-5H,1H3,(H2,12,13);2*2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12,13);2*2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2*2-4H,5H2,1H3,(H2,10,11)
InChIKeyLEXVPCPBPNKUKE-UHFFFAOYSA-N
XLogP17.06
TPSA558.51 Ų
H-Bond Donors13
H-Bond Acceptors30
Rotatable Bonds1
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001803.15
LogP ≤ 517.06
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1030

Analyze 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?
The IUPAC name of 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine (CID 159330648) is 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine.
What is the SMILES notation for 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?
The canonical SMILES for 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine is Cc1cc2c(N)nccc2cc1F.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.
What is the InChIKey of 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?
The InChIKey is LEXVPCPBPNKUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2.2C10H10N2.C9H10N4.C9H9N3O.4C9H9N3.2C9H10N2O/c1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-7-8(4-6)11-5-12-9(7)10;2*1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6/h2-5H,1H3,(H2,12,13);2*2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12,13);2*2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2*2-4H,5H2,1H3,(H2,10,11).
What are the key properties of 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?
6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine has a molecular weight of 1803.15 g/mol, XLogP of 17.06, 1 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine is sourced from PubChem (CID 159330648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).