N-cyclopropyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide

C22H22N4O2 — CID 25129831

IUPACN-cyclopropyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide
SMILESO=C(NC1CC1)c1cccc(-c2ccc3c(N4CCOCC4)nncc3c2)c1
InChIInChI=1S/C22H22N4O2/c27-22(24-19-5-6-19)17-3-1-2-15(12-17)16-4-7-20-18(13-16)14-23-25-21(20)26-8-10-28-11-9-26/h1-4,7,12-14,19H,5-6,8-11H2,(H,24,27)
InChIKeyKNLFQURAVAITLS-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.03
Rot. Bonds4

About N-cyclopropyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide

N-cyclopropyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide (PubChem CID 25129831) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-cyclopropyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide
PubChem CID25129831
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-cyclopropyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide
SMILESO=C(NC1CC1)c1cccc(-c2ccc3c(N4CCOCC4)nncc3c2)c1
InChIInChI=1S/C22H22N4O2/c27-22(24-19-5-6-19)17-3-1-2-15(12-17)16-4-7-20-18(13-16)14-23-25-21(20)26-8-10-28-11-9-26/h1-4,7,12-14,19H,5-6,8-11H2,(H,24,27)
InChIKeyKNLFQURAVAITLS-UHFFFAOYSA-N
XLogP3.03
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide?
The IUPAC name of N-cyclopropyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide (CID 25129831) is N-cyclopropyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide?
The canonical SMILES for N-cyclopropyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide is O=C(NC1CC1)c1cccc(-c2ccc3c(N4CCOCC4)nncc3c2)c1.
What is the InChIKey of N-cyclopropyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide?
The InChIKey is KNLFQURAVAITLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-22(24-19-5-6-19)17-3-1-2-15(12-17)16-4-7-20-18(13-16)14-23-25-21(20)26-8-10-28-11-9-26/h1-4,7,12-14,19H,5-6,8-11H2,(H,24,27).
What are the key properties of N-cyclopropyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide?
N-cyclopropyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide is sourced from PubChem (CID 25129831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).