11-methylnaphtho[1,2-h]isoquinoline

C18H13N — CID 134973288

IUPAC11-methylnaphtho[1,2-h]isoquinoline
SMILESCc1cc2ccncc2c2ccc3ccccc3c12
InChIInChI=1S/C18H13N/c1-12-10-14-8-9-19-11-17(14)16-7-6-13-4-2-3-5-15(13)18(12)16/h2-11H,1H3
InChIKeyZPMXSAMXEDGDQO-UHFFFAOYSA-N
MW243.31 g/mol
LogP4.85
Rot. Bonds

About 11-methylnaphtho[1,2-h]isoquinoline

11-methylnaphtho[1,2-h]isoquinoline (PubChem CID 134973288) has the molecular formula C18H13N and a molecular weight of 243.31 g/mol. Its IUPAC name is 11-methylnaphtho[1,2-h]isoquinoline.

Molecular Properties

Compound Name11-methylnaphtho[1,2-h]isoquinoline
PubChem CID134973288
Molecular FormulaC18H13N
Molecular Weight243.31 g/mol
Exact Mass243.10
IUPAC Name11-methylnaphtho[1,2-h]isoquinoline
SMILESCc1cc2ccncc2c2ccc3ccccc3c12
InChIInChI=1S/C18H13N/c1-12-10-14-8-9-19-11-17(14)16-7-6-13-4-2-3-5-15(13)18(12)16/h2-11H,1H3
InChIKeyZPMXSAMXEDGDQO-UHFFFAOYSA-N
XLogP4.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 24939091
2,9-phenanthroline
CID 23271029
6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline
CID 121287378
8-phenanthren-9-ylisoquinoline
CID 171383107
4-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene
CID 146641531
8-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[h]isoquinoline
CID 149110952
8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline
CID 147512897
N,N-diphenylbenzo[h]isoquinolin-9-amine
CID 135257398
7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline
CID 174288450
heptacyclo[16.12.0.02,11.03,8.012,17.021,30.023,28]triaconta-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-pentadecaene
CID 164666450
5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[1,2-h]isoquinoline
CID 174288208
6,8-dimethylisoquinoline;ethane
CID 143881412

Frequently Asked Questions

What is the IUPAC name of 11-methylnaphtho[1,2-h]isoquinoline?
The IUPAC name of 11-methylnaphtho[1,2-h]isoquinoline (CID 134973288) is 11-methylnaphtho[1,2-h]isoquinoline.
What is the SMILES notation for 11-methylnaphtho[1,2-h]isoquinoline?
The canonical SMILES for 11-methylnaphtho[1,2-h]isoquinoline is Cc1cc2ccncc2c2ccc3ccccc3c12.
What is the InChIKey of 11-methylnaphtho[1,2-h]isoquinoline?
The InChIKey is ZPMXSAMXEDGDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N/c1-12-10-14-8-9-19-11-17(14)16-7-6-13-4-2-3-5-15(13)18(12)16/h2-11H,1H3.
What are the key properties of 11-methylnaphtho[1,2-h]isoquinoline?
11-methylnaphtho[1,2-h]isoquinoline has a molecular weight of 243.31 g/mol, XLogP of 4.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylnaphtho[1,2-h]isoquinoline is sourced from PubChem (CID 134973288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).