7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium

C19H21N2+ — CID 123861351

IUPAC7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium
SMILESCc1ccccc1-c1c2ncc(C(C)C)cc2cc[n+]1C
InChIInChI=1S/C19H21N2/c1-13(2)16-11-15-9-10-21(4)19(18(15)20-12-16)17-8-6-5-7-14(17)3/h5-13H,1-4H3/q+1
InChIKeyJDRQOIJUTDUYKG-UHFFFAOYSA-N
MW277.39 g/mol
LogP4.16
Rot. Bonds2

About 7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium

7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium (PubChem CID 123861351) has the molecular formula C19H21N2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is 7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium.

Molecular Properties

Compound Name7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium
PubChem CID123861351
Molecular FormulaC19H21N2+
Molecular Weight277.39 g/mol
Exact Mass277.17
IUPAC Name7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium
SMILESCc1ccccc1-c1c2ncc(C(C)C)cc2cc[n+]1C
InChIInChI=1S/C19H21N2/c1-13(2)16-11-15-9-10-21(4)19(18(15)20-12-16)17-8-6-5-7-14(17)3/h5-13H,1-4H3/q+1
InChIKeyJDRQOIJUTDUYKG-UHFFFAOYSA-N
XLogP4.16
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium
CID 123983574
7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium
CID 123573310
5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium
CID 123455228
6-(2,4-dimethylpentan-3-yl)-2-methyl-1-(2-methylphenyl)isoquinolin-2-ium
CID 155638866
4-[3,5-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 123488433
2,6-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium
CID 155638527
2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium
CID 155638091
3-propan-2-ylquinolin-8-amine
CID 170777119
6,8-dimethyl-3-propan-2-ylquinoline
CID 82112330
2-methyl-7-propan-2-yl-3H-imidazo[4,5-h]quinoline
CID 70937649
2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium
CID 123379683
dimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]-pyridin-2-ylsilane
CID 155638218

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium?
The IUPAC name of 7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium (CID 123861351) is 7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium.
What is the SMILES notation for 7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium?
The canonical SMILES for 7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium is Cc1ccccc1-c1c2ncc(C(C)C)cc2cc[n+]1C.
What is the InChIKey of 7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium?
The InChIKey is JDRQOIJUTDUYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2/c1-13(2)16-11-15-9-10-21(4)19(18(15)20-12-16)17-8-6-5-7-14(17)3/h5-13H,1-4H3/q+1.
What are the key properties of 7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium?
7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium has a molecular weight of 277.39 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium is sourced from PubChem (CID 123861351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).