2-chloro-6-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

C38H41ClN6O2 — CID 159027999

IUPAC2-chloro-6-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C11H9Cl.2C9H10N2O.C9H12N2/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;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;1-7-4-5-8-3-2-6-10-9(8)11-7/h2-7H,1H3;2*2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11)
InChIKeyJUNDGCDUPTXEGA-UHFFFAOYSA-N
MW649.24 g/mol
LogP7.84
Rot. Bonds

About 2-chloro-6-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

2-chloro-6-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 159027999) has the molecular formula C38H41ClN6O2 and a molecular weight of 649.24 g/mol. Its IUPAC name is 2-chloro-6-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name2-chloro-6-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID159027999
Molecular FormulaC38H41ClN6O2
Molecular Weight649.24 g/mol
Exact Mass648.30
IUPAC Name2-chloro-6-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C11H9Cl.2C9H10N2O.C9H12N2/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;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;1-7-4-5-8-3-2-6-10-9(8)11-7/h2-7H,1H3;2*2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11)
InChIKeyJUNDGCDUPTXEGA-UHFFFAOYSA-N
XLogP7.84
TPSA120.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.24
LogP ≤ 57.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-chloro-6-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;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;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 2-chloro-6-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 159027999) is 2-chloro-6-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 2-chloro-6-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 2-chloro-6-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-6-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is JUNDGCDUPTXEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl.2C9H10N2O.C9H12N2/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;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;1-7-4-5-8-3-2-6-10-9(8)11-7/h2-7H,1H3;2*2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11).
What are the key properties of 2-chloro-6-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
2-chloro-6-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 649.24 g/mol, XLogP of 7.84, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 159027999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).