2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-methyl-1H-2,3-benzoxazin-4-amine);3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5,6,7,8-tetrahydroquinoline

C71H68ClFN8O2 — CID 157450363

About 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-methyl-1H-2,3-benzoxazin-4-amine);3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5,6,7,8-tetrahydroquinoline

2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-methyl-1H-2,3-benzoxazin-4-amine);3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5,6,7,8-tetrahydroquinoline (PubChem CID 157450363) has the molecular formula C71H68ClFN8O2 and a molecular weight of 1119.83 g/mol. Its IUPAC name is 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-methyl-1H-2,3-benzoxazin-4-amine);3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

• Compound Name: 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-methyl-1H-2,3-benzoxazin-4-amine);3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5,6,7,8-tetrahydroquinoline
• PubChem CID: 157450363
• Molecular Formula: C71H68ClFN8O2
• Molecular Weight: 1119.83 g/mol
• Exact Mass: 1118.51
• IUPAC Name: 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-methyl-1H-2,3-benzoxazin-4-amine);3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5,6,7,8-tetrahydroquinoline
• SMILES: Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1F.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(n1)CCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cccnc2n1
• InChI: InChI=1S/C12H9N.C11H9Cl.C11H9F.C10H13N.2C9H10N2O.C9H8N2/c1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-7-9-4-2-3-5-10(9)11-8;2*1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-7-4-5-8-3-2-6-10-9(8)11-7/h2-7H,1H3;2*2-7H,1H3;6-7H,2-5H2,1H3;2*2-4H,5H2,1H3,(H2,10,11);2-6H,1H3
• InChIKey: BSSOBQYLZYYUMV-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 157.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1119.83
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-methyl-1H-2,3-benzoxazin-4-amine);3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5,6,7,8-tetrahydroquinoline?

The IUPAC name of 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-methyl-1H-2,3-benzoxazin-4-amine);3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5,6,7,8-tetrahydroquinoline (CID 157450363) is 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-methyl-1H-2,3-benzoxazin-4-amine);3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5,6,7,8-tetrahydroquinoline.

What is the SMILES notation for 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-methyl-1H-2,3-benzoxazin-4-amine);3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5,6,7,8-tetrahydroquinoline?

The canonical SMILES for 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-methyl-1H-2,3-benzoxazin-4-amine);3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5,6,7,8-tetrahydroquinoline is Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1F.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(n1)CCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cccnc2n1.

What is the InChIKey of 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-methyl-1H-2,3-benzoxazin-4-amine);3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5,6,7,8-tetrahydroquinoline?

The InChIKey is BSSOBQYLZYYUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C11H9Cl.C11H9F.C10H13N.2C9H10N2O.C9H8N2/c1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-7-9-4-2-3-5-10(9)11-8;2*1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-7-4-5-8-3-2-6-10-9(8)11-7/h2-7H,1H3;2*2-7H,1H3;6-7H,2-5H2,1H3;2*2-4H,5H2,1H3,(H2,10,11);2-6H,1H3.

What are the key properties of 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-methyl-1H-2,3-benzoxazin-4-amine);3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5,6,7,8-tetrahydroquinoline?

2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-methyl-1H-2,3-benzoxazin-4-amine);3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 1119.83 g/mol, XLogP of 16.61, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-methyl-1H-2,3-benzoxazin-4-amine);3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 157450363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).