8-methyl-4-phenoxycinnoline

C15H12N2O — CID 86018673

IUPAC8-methyl-4-phenoxycinnoline
SMILESCc1cccc2c(Oc3ccccc3)cnnc12
InChIInChI=1S/C15H12N2O/c1-11-6-5-9-13-14(10-16-17-15(11)13)18-12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyDJWVOMYDVWXDMS-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.73
Rot. Bonds2

About 8-methyl-4-phenoxycinnoline

8-methyl-4-phenoxycinnoline (PubChem CID 86018673) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 8-methyl-4-phenoxycinnoline.

Molecular Properties

Compound Name8-methyl-4-phenoxycinnoline
PubChem CID86018673
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name8-methyl-4-phenoxycinnoline
SMILESCc1cccc2c(Oc3ccccc3)cnnc12
InChIInChI=1S/C15H12N2O/c1-11-6-5-9-13-14(10-16-17-15(11)13)18-12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyDJWVOMYDVWXDMS-UHFFFAOYSA-N
XLogP3.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phthalazine, 1-phenoxy-
CID 613554
4-Cinnolinyl methyl ether
CID 292501
4-[(Z)-2-(2-methoxyphenyl)ethenyl]cinnoline
CID 54602268
(4-(Cinnolin-4-yloxy)phenyl)(imino)(methyl)-lambda6-sulfanone
CID 157040747
8-(4-Methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]cinnoline
CID 15891216
4-(4-Methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline
CID 15891218
5-Fluoro-4-prop-2-ynoxycinnoline
CID 177851022
4-(Cinnolin-4-yloxymethyl)benzonitrile
CID 8098224
7-Chloro-4-phenoxycinnoline
CID 596987
4-Prop-2-enoxycinnoline
CID 135060412
4-Phenoxycinnoline
CID 21991035
6-Chloro-4-phenoxycinnoline
CID 21991067

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-phenoxycinnoline?
The IUPAC name of 8-methyl-4-phenoxycinnoline (CID 86018673) is 8-methyl-4-phenoxycinnoline.
What is the SMILES notation for 8-methyl-4-phenoxycinnoline?
The canonical SMILES for 8-methyl-4-phenoxycinnoline is Cc1cccc2c(Oc3ccccc3)cnnc12.
What is the InChIKey of 8-methyl-4-phenoxycinnoline?
The InChIKey is DJWVOMYDVWXDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11-6-5-9-13-14(10-16-17-15(11)13)18-12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 8-methyl-4-phenoxycinnoline?
8-methyl-4-phenoxycinnoline has a molecular weight of 236.27 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-phenoxycinnoline is sourced from PubChem (CID 86018673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).