2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

C104H99ClFN13O3 — CID 159050404

IUPAC2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1F.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cccnc2c1.Cc1ccc2cccnc2n1.[H]/N=C(\N)c1cc2ccccc2cc1C
InChIInChI=1S/C12H12N2.C12H11NO.C12H9N.C11H9Cl.C11H9F.C10H9N.2C9H10N2O.C9H12N2.C9H8N2/c2*1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-6-10-4-2-3-5-11(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;1-8-4-5-9-3-2-6-11-10(9)7-8;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;2*1-7-4-5-8-3-2-6-10-9(8)11-7/h2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);2-7H,1H3;2*2-7H,1H3;2-7H,1H3;2*2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2-6H,1H3
InChIKeyJXEPRQKSZWEWSU-UHFFFAOYSA-N
MW1633.47 g/mol
LogP23.31
Rot. Bonds2

About 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 159050404) has the molecular formula C104H99ClFN13O3 and a molecular weight of 1633.47 g/mol. Its IUPAC name is 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID159050404
Molecular FormulaC104H99ClFN13O3
Molecular Weight1633.47 g/mol
Exact Mass1631.77
IUPAC Name2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1F.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cccnc2c1.Cc1ccc2cccnc2n1.[H]/N=C(\N)c1cc2ccccc2cc1C
InChIInChI=1S/C12H12N2.C12H11NO.C12H9N.C11H9Cl.C11H9F.C10H9N.2C9H10N2O.C9H12N2.C9H8N2/c2*1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-6-10-4-2-3-5-11(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;1-8-4-5-9-3-2-6-11-10(9)7-8;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;2*1-7-4-5-8-3-2-6-10-9(8)11-7/h2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);2-7H,1H3;2*2-7H,1H3;2-7H,1H3;2*2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2-6H,1H3
InChIKeyJXEPRQKSZWEWSU-UHFFFAOYSA-N
XLogP23.31
TPSA275.56 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001633.47
LogP ≤ 523.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 159050404) is 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1F.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cccnc2c1.Cc1ccc2cccnc2n1.[H]/N=C(\N)c1cc2ccccc2cc1C.
What is the InChIKey of 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is JXEPRQKSZWEWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C12H11NO.C12H9N.C11H9Cl.C11H9F.C10H9N.2C9H10N2O.C9H12N2.C9H8N2/c2*1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-6-10-4-2-3-5-11(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;1-8-4-5-9-3-2-6-11-10(9)7-8;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;2*1-7-4-5-8-3-2-6-10-9(8)11-7/h2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);2-7H,1H3;2*2-7H,1H3;2-7H,1H3;2*2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2-6H,1H3.
What are the key properties of 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 1633.47 g/mol, XLogP of 23.31, 2 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 159050404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).