7-methyl-3-phenylbenzo[f]quinolin-4-ium

C20H16N+ — CID 140780622

IUPAC7-methyl-3-phenylbenzo[f]quinolin-4-ium
SMILESCc1cccc2c1ccc1[nH+]c(-c3ccccc3)ccc12
InChIInChI=1S/C20H15N/c1-14-6-5-9-17-16(14)10-13-20-18(17)11-12-19(21-20)15-7-3-2-4-8-15/h2-13H,1H3/p+1
InChIKeyQKGUZKSFTAWTIY-UHFFFAOYSA-O
MW270.36 g/mol
LogP4.78
Rot. Bonds1

About 7-methyl-3-phenylbenzo[f]quinolin-4-ium

7-methyl-3-phenylbenzo[f]quinolin-4-ium (PubChem CID 140780622) has the molecular formula C20H16N+ and a molecular weight of 270.36 g/mol. Its IUPAC name is 7-methyl-3-phenylbenzo[f]quinolin-4-ium.

Molecular Properties

Compound Name7-methyl-3-phenylbenzo[f]quinolin-4-ium
PubChem CID140780622
Molecular FormulaC20H16N+
Molecular Weight270.36 g/mol
Exact Mass270.13
IUPAC Name7-methyl-3-phenylbenzo[f]quinolin-4-ium
SMILESCc1cccc2c1ccc1[nH+]c(-c3ccccc3)ccc12
InChIInChI=1S/C20H15N/c1-14-6-5-9-17-16(14)10-13-20-18(17)11-12-19(21-20)15-7-3-2-4-8-15/h2-13H,1H3/p+1
InChIKeyQKGUZKSFTAWTIY-UHFFFAOYSA-O
XLogP4.78
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethylnaphthalene
CID 162159355
2-methyl-6-phenylpyridin-1-ium
CID 102599975
1,5-dimethyl-3-phenylnaphthalene
CID 171720915
methane;1-methylphenanthrene
CID 175001905
7-methylchrysene-1-thiol
CID 143948531
6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene
CID 147672921
carbonic acid;1-methylnaphthalene
CID 66808059
12-methyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 15980956
ethane;1,2,5-trimethylnaphthalene
CID 142394206
2-methyl-1-phenyltriphenylene
CID 175828145
1-methyl-7-(trifluoromethyl)chrysene
CID 58362219
2,9-dimethylpicene
CID 15509

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-phenylbenzo[f]quinolin-4-ium?
The IUPAC name of 7-methyl-3-phenylbenzo[f]quinolin-4-ium (CID 140780622) is 7-methyl-3-phenylbenzo[f]quinolin-4-ium.
What is the SMILES notation for 7-methyl-3-phenylbenzo[f]quinolin-4-ium?
The canonical SMILES for 7-methyl-3-phenylbenzo[f]quinolin-4-ium is Cc1cccc2c1ccc1[nH+]c(-c3ccccc3)ccc12.
What is the InChIKey of 7-methyl-3-phenylbenzo[f]quinolin-4-ium?
The InChIKey is QKGUZKSFTAWTIY-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H15N/c1-14-6-5-9-17-16(14)10-13-20-18(17)11-12-19(21-20)15-7-3-2-4-8-15/h2-13H,1H3/p+1.
What are the key properties of 7-methyl-3-phenylbenzo[f]quinolin-4-ium?
7-methyl-3-phenylbenzo[f]quinolin-4-ium has a molecular weight of 270.36 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-phenylbenzo[f]quinolin-4-ium is sourced from PubChem (CID 140780622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).