4-methyl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide

C19H20N4O — CID 11848990

IUPAC4-methyl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide
SMILESCc1ccc(C(N)=O)cc1-c1ccc2c(NC(C)C)nncc2c1
InChIInChI=1S/C19H20N4O/c1-11(2)22-19-16-7-6-13(8-15(16)10-21-23-19)17-9-14(18(20)24)5-4-12(17)3/h4-11H,1-3H3,(H2,20,24)(H,22,23)
InChIKeyZKFMJRPOLDJLDK-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.52
Rot. Bonds4

About 4-methyl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide

4-methyl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide (PubChem CID 11848990) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-methyl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide
PubChem CID11848990
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-methyl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide
SMILESCc1ccc(C(N)=O)cc1-c1ccc2c(NC(C)C)nncc2c1
InChIInChI=1S/C19H20N4O/c1-11(2)22-19-16-7-6-13(8-15(16)10-21-23-19)17-9-14(18(20)24)5-4-12(17)3/h4-11H,1-3H3,(H2,20,24)(H,22,23)
InChIKeyZKFMJRPOLDJLDK-UHFFFAOYSA-N
XLogP3.52
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide?
The IUPAC name of 4-methyl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide (CID 11848990) is 4-methyl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide.
What is the SMILES notation for 4-methyl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide?
The canonical SMILES for 4-methyl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide is Cc1ccc(C(N)=O)cc1-c1ccc2c(NC(C)C)nncc2c1.
What is the InChIKey of 4-methyl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide?
The InChIKey is ZKFMJRPOLDJLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-11(2)22-19-16-7-6-13(8-15(16)10-21-23-19)17-9-14(18(20)24)5-4-12(17)3/h4-11H,1-3H3,(H2,20,24)(H,22,23).
What are the key properties of 4-methyl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide?
4-methyl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide has a molecular weight of 320.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(propan-2-ylamino)phthalazin-6-yl]benzamide is sourced from PubChem (CID 11848990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).