2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5H-pyrido[2,3-d]oxazin-8-amine;2-methyl-5,6,7,8-tetrahydroquinoline

C72H75ClFN9O2 — CID 157210332

About 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5H-pyrido[2,3-d]oxazin-8-amine;2-methyl-5,6,7,8-tetrahydroquinoline

2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5H-pyrido[2,3-d]oxazin-8-amine;2-methyl-5,6,7,8-tetrahydroquinoline (PubChem CID 157210332) has the molecular formula C72H75ClFN9O2 and a molecular weight of 1152.90 g/mol. Its IUPAC name is 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5H-pyrido[2,3-d]oxazin-8-amine;2-methyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

• Compound Name: 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5H-pyrido[2,3-d]oxazin-8-amine;2-methyl-5,6,7,8-tetrahydroquinoline
• PubChem CID: 157210332
• Molecular Formula: C72H75ClFN9O2
• Molecular Weight: 1152.90 g/mol
• Exact Mass: 1151.57
• IUPAC Name: 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5H-pyrido[2,3-d]oxazin-8-amine;2-methyl-5,6,7,8-tetrahydroquinoline
• SMILES: C.C.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1F.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)C(N)=NOC2.Cc1ccc2c(n1)CCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cccnc2n1
• InChI: InChI=1S/C12H9N.C11H9Cl.C11H9F.C10H13N.C9H10N2O.C9H8N2.C8H9N3O.2CH4/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;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-7-4-5-8-3-2-6-10-9(8)11-7;1-5-2-3-6-4-12-11-8(9)7(6)10-5;;/h2-7H,1H3;2*2-7H,1H3;6-7H,2-5H2,1H3;2-4H,5H2,1H3,(H2,10,11);2-6H,1H3;2-3H,4H2,1H3,(H2,9,11);2*1H4
• InChIKey: ARUWSIMXXIYGJZ-UHFFFAOYSA-N
• XLogP: 17.27
• TPSA: 170.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1152.90
LogP ≤ 5	17.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5H-pyrido[2,3-d]oxazin-8-amine;2-methyl-5,6,7,8-tetrahydroquinoline?

The IUPAC name of 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5H-pyrido[2,3-d]oxazin-8-amine;2-methyl-5,6,7,8-tetrahydroquinoline (CID 157210332) is 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5H-pyrido[2,3-d]oxazin-8-amine;2-methyl-5,6,7,8-tetrahydroquinoline.

What is the SMILES notation for 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5H-pyrido[2,3-d]oxazin-8-amine;2-methyl-5,6,7,8-tetrahydroquinoline?

The canonical SMILES for 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5H-pyrido[2,3-d]oxazin-8-amine;2-methyl-5,6,7,8-tetrahydroquinoline is C.C.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1F.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)C(N)=NOC2.Cc1ccc2c(n1)CCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cccnc2n1.

What is the InChIKey of 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5H-pyrido[2,3-d]oxazin-8-amine;2-methyl-5,6,7,8-tetrahydroquinoline?

The InChIKey is ARUWSIMXXIYGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C11H9Cl.C11H9F.C10H13N.C9H10N2O.C9H8N2.C8H9N3O.2CH4/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;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-7-4-5-8-3-2-6-10-9(8)11-7;1-5-2-3-6-4-12-11-8(9)7(6)10-5;;/h2-7H,1H3;2*2-7H,1H3;6-7H,2-5H2,1H3;2-4H,5H2,1H3,(H2,10,11);2-6H,1H3;2-3H,4H2,1H3,(H2,9,11);2*1H4.

What are the key properties of 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5H-pyrido[2,3-d]oxazin-8-amine;2-methyl-5,6,7,8-tetrahydroquinoline?

2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5H-pyrido[2,3-d]oxazin-8-amine;2-methyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 1152.90 g/mol, XLogP of 17.27, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;2-methyl-5H-pyrido[2,3-d]oxazin-8-amine;2-methyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 157210332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).