(1-methyl-2-oxoquinolin-4-yl) 3-methyl-4-oxophthalazine-1-carboxylate

C20H15N3O4 — CID 2459354

IUPAC(1-methyl-2-oxoquinolin-4-yl) 3-methyl-4-oxophthalazine-1-carboxylate
SMILESCn1nc(C(=O)Oc2cc(=O)n(C)c3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C20H15N3O4/c1-22-15-10-6-5-9-14(15)16(11-17(22)24)27-20(26)18-12-7-3-4-8-13(12)19(25)23(2)21-18/h3-11H,1-2H3
InChIKeySHBGYKNAVUUVRE-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.00
Rot. Bonds2

About (1-methyl-2-oxoquinolin-4-yl) 3-methyl-4-oxophthalazine-1-carboxylate

(1-methyl-2-oxoquinolin-4-yl) 3-methyl-4-oxophthalazine-1-carboxylate (PubChem CID 2459354) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is (1-methyl-2-oxoquinolin-4-yl) 3-methyl-4-oxophthalazine-1-carboxylate.

Molecular Properties

Compound Name(1-methyl-2-oxoquinolin-4-yl) 3-methyl-4-oxophthalazine-1-carboxylate
PubChem CID2459354
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name(1-methyl-2-oxoquinolin-4-yl) 3-methyl-4-oxophthalazine-1-carboxylate
SMILESCn1nc(C(=O)Oc2cc(=O)n(C)c3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C20H15N3O4/c1-22-15-10-6-5-9-14(15)16(11-17(22)24)27-20(26)18-12-7-3-4-8-13(12)19(25)23(2)21-18/h3-11H,1-2H3
InChIKeySHBGYKNAVUUVRE-UHFFFAOYSA-N
XLogP2.00
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-oxoquinolin-4-yl) 3-methyl-4-oxophthalazine-1-carboxylate?
The IUPAC name of (1-methyl-2-oxoquinolin-4-yl) 3-methyl-4-oxophthalazine-1-carboxylate (CID 2459354) is (1-methyl-2-oxoquinolin-4-yl) 3-methyl-4-oxophthalazine-1-carboxylate.
What is the SMILES notation for (1-methyl-2-oxoquinolin-4-yl) 3-methyl-4-oxophthalazine-1-carboxylate?
The canonical SMILES for (1-methyl-2-oxoquinolin-4-yl) 3-methyl-4-oxophthalazine-1-carboxylate is Cn1nc(C(=O)Oc2cc(=O)n(C)c3ccccc23)c2ccccc2c1=O.
What is the InChIKey of (1-methyl-2-oxoquinolin-4-yl) 3-methyl-4-oxophthalazine-1-carboxylate?
The InChIKey is SHBGYKNAVUUVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-22-15-10-6-5-9-14(15)16(11-17(22)24)27-20(26)18-12-7-3-4-8-13(12)19(25)23(2)21-18/h3-11H,1-2H3.
What are the key properties of (1-methyl-2-oxoquinolin-4-yl) 3-methyl-4-oxophthalazine-1-carboxylate?
(1-methyl-2-oxoquinolin-4-yl) 3-methyl-4-oxophthalazine-1-carboxylate has a molecular weight of 361.36 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-oxoquinolin-4-yl) 3-methyl-4-oxophthalazine-1-carboxylate is sourced from PubChem (CID 2459354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).