11-methylphenanthro[9,10-b]quinoline

C22H15N — CID 14913507

IUPAC11-methylphenanthro[9,10-b]quinoline
SMILESCc1ccc2cc3c4ccccc4c4ccccc4c3nc2c1
InChIInChI=1S/C22H15N/c1-14-10-11-15-13-20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)22(20)23-21(15)12-14/h2-13H,1H3
InChIKeySEIULQYSEYLWQJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP6.00
Rot. Bonds

About 11-methylphenanthro[9,10-b]quinoline

11-methylphenanthro[9,10-b]quinoline (PubChem CID 14913507) has the molecular formula C22H15N and a molecular weight of 293.37 g/mol. Its IUPAC name is 11-methylphenanthro[9,10-b]quinoline.

Molecular Properties

Compound Name11-methylphenanthro[9,10-b]quinoline
PubChem CID14913507
Molecular FormulaC22H15N
Molecular Weight293.37 g/mol
Exact Mass293.12
IUPAC Name11-methylphenanthro[9,10-b]quinoline
SMILESCc1ccc2cc3c4ccccc4c4ccccc4c3nc2c1
InChIInChI=1S/C22H15N/c1-14-10-11-15-13-20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)22(20)23-21(15)12-14/h2-13H,1H3
InChIKeySEIULQYSEYLWQJ-UHFFFAOYSA-N
XLogP6.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.37
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-iodo-11-methylphenanthro[9,10-b]pyridine
CID 166789626
methane;3-methylbenzo[c]cinnoline
CID 157102255
3,6-dimethylacridin-1-amine
CID 87586132
9-methylphenanthridine
CID 10987123
5,7-dimethylphenanthro[9,10-b]quinoxaline
CID 165358551
2,7-dimethyltriphenylene
CID 23261750
methane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole
CID 160638950
6-(1-ethoxyethyl)-3-methylphenanthridine
CID 132838704
ethane;2-methyltriphenylene
CID 91569125
5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde
CID 137224351
7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene
CID 170258496
12,23-dimethylheptacyclo[14.10.2.02,7.08,28.010,15.019,27.020,25]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene
CID 122390139

Frequently Asked Questions

What is the IUPAC name of 11-methylphenanthro[9,10-b]quinoline?
The IUPAC name of 11-methylphenanthro[9,10-b]quinoline (CID 14913507) is 11-methylphenanthro[9,10-b]quinoline.
What is the SMILES notation for 11-methylphenanthro[9,10-b]quinoline?
The canonical SMILES for 11-methylphenanthro[9,10-b]quinoline is Cc1ccc2cc3c4ccccc4c4ccccc4c3nc2c1.
What is the InChIKey of 11-methylphenanthro[9,10-b]quinoline?
The InChIKey is SEIULQYSEYLWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N/c1-14-10-11-15-13-20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)22(20)23-21(15)12-14/h2-13H,1H3.
What are the key properties of 11-methylphenanthro[9,10-b]quinoline?
11-methylphenanthro[9,10-b]quinoline has a molecular weight of 293.37 g/mol, XLogP of 6.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylphenanthro[9,10-b]quinoline is sourced from PubChem (CID 14913507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).