2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-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 — IUPAC name, SMILES, InChIKey & properties

Name: 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-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 Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-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;bis(6-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 158305159) 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;bis(6-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 Name	2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-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	158305159
Molecular Formula	C104H99ClFN13O3
Molecular Weight	1633.47 g/mol
Exact Mass	1631.77
IUPAC Name	2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-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
SMILES	Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1F.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cccnc2c1.Cc1ccc2cccnc2n1.[H]/N=C(\N)c1cc2ccccc2cc1C
InChI	InChI=1S/C12H12N2.C12H11NO.C12H9N.C11H9Cl.C11H9F.C10H9N.2C9H10N2O.C9H12N2.C9H8N2/c21-8-6-9-4-2-3-5-10(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;21-6-2-3-7-5-12-11-9(10)8(7)4-6;21-7-4-5-8-3-2-6-10-9(8)11-7/h2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);2-7H,1H3;22-7H,1H3;2-7H,1H3;2*2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2-6H,1H3
InChIKey	GMZJUTBYZCOCNL-UHFFFAOYSA-N
XLogP	23.31
TPSA	275.56 Å²
H-Bond Donors	6
H-Bond Acceptors	14
Rotatable Bonds	2
Heavy Atoms	122
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1633.47
LogP ≤ 5	23.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

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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;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;bis(6-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 158305159) is 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;bis(6-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;bis(6-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;bis(6-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)C(N)=NOC2.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;bis(6-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 GMZJUTBYZCOCNL-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;2*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;bis(6-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?

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;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 158305159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).