N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide

C24H22N4O4 — CID 2945487

IUPACN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide
SMILESCOc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccco3)c2)c2ccccc12
InChIInChI=1S/C24H22N4O4/c1-30-24-18-6-3-2-5-17(18)22(26-27-24)16-8-9-20(28-10-13-31-14-11-28)19(15-16)25-23(29)21-7-4-12-32-21/h2-9,12,15H,10-11,13-14H2,1H3,(H,25,29)
InChIKeyPQRLGLOLWLSQKT-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.99
Rot. Bonds5

About N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide

N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide (PubChem CID 2945487) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide
PubChem CID2945487
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC NameN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide
SMILESCOc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccco3)c2)c2ccccc12
InChIInChI=1S/C24H22N4O4/c1-30-24-18-6-3-2-5-17(18)22(26-27-24)16-8-9-20(28-10-13-31-14-11-28)19(15-16)25-23(29)21-7-4-12-32-21/h2-9,12,15H,10-11,13-14H2,1H3,(H,25,29)
InChIKeyPQRLGLOLWLSQKT-UHFFFAOYSA-N
XLogP3.99
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide (CID 2945487) is N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide is COc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccco3)c2)c2ccccc12.
What is the InChIKey of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide?
The InChIKey is PQRLGLOLWLSQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-30-24-18-6-3-2-5-17(18)22(26-27-24)16-8-9-20(28-10-13-31-14-11-28)19(15-16)25-23(29)21-7-4-12-32-21/h2-9,12,15H,10-11,13-14H2,1H3,(H,25,29).
What are the key properties of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide?
N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]furan-2-carboxamide is sourced from PubChem (CID 2945487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).