cinnoline;isoquinoline;phthalazine

C25H19N5 — CID 142014837

IUPACcinnoline;isoquinoline;phthalazine
SMILESc1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2nnccc2c1
InChIInChI=1S/C9H7N.2C8H6N2/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-10-8/h1-7H;2*1-6H
InChIKeyXIIMGMHGXPTCQK-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.49
Rot. Bonds

About cinnoline;isoquinoline;phthalazine

cinnoline;isoquinoline;phthalazine (PubChem CID 142014837) has the molecular formula C25H19N5 and a molecular weight of 389.46 g/mol. Its IUPAC name is cinnoline;isoquinoline;phthalazine.

Molecular Properties

Compound Namecinnoline;isoquinoline;phthalazine
PubChem CID142014837
Molecular FormulaC25H19N5
Molecular Weight389.46 g/mol
Exact Mass389.16
IUPAC Namecinnoline;isoquinoline;phthalazine
SMILESc1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2nnccc2c1
InChIInChI=1S/C9H7N.2C8H6N2/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-10-8/h1-7H;2*1-6H
InChIKeyXIIMGMHGXPTCQK-UHFFFAOYSA-N
XLogP5.49
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cinnoline;isoquinoline;phthalazine?
The IUPAC name of cinnoline;isoquinoline;phthalazine (CID 142014837) is cinnoline;isoquinoline;phthalazine.
What is the SMILES notation for cinnoline;isoquinoline;phthalazine?
The canonical SMILES for cinnoline;isoquinoline;phthalazine is c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2nnccc2c1.
What is the InChIKey of cinnoline;isoquinoline;phthalazine?
The InChIKey is XIIMGMHGXPTCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.2C8H6N2/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-10-8/h1-7H;2*1-6H.
What are the key properties of cinnoline;isoquinoline;phthalazine?
cinnoline;isoquinoline;phthalazine has a molecular weight of 389.46 g/mol, XLogP of 5.49, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cinnoline;isoquinoline;phthalazine is sourced from PubChem (CID 142014837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).