4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one

C29H26N4O4 — CID 118556497

IUPAC4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one
SMILESO=C(c1ccc2c(c1)CCN2C(=O)Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCOCC1
InChIInChI=1S/C29H26N4O4/c34-26(33-12-11-21-18-22(9-10-25(21)33)29(36)32-13-15-37-16-14-32)17-19-5-7-20(8-6-19)27-23-3-1-2-4-24(23)28(35)31-30-27/h1-10,18H,11-17H2,(H,31,35)
InChIKeyXUWSXVRYZVDACH-UHFFFAOYSA-N
MW494.55 g/mol
LogP3.19
Rot. Bonds4

About 4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one

4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one (PubChem CID 118556497) has the molecular formula C29H26N4O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is 4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one
PubChem CID118556497
Molecular FormulaC29H26N4O4
Molecular Weight494.55 g/mol
Exact Mass494.20
IUPAC Name4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one
SMILESO=C(c1ccc2c(c1)CCN2C(=O)Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCOCC1
InChIInChI=1S/C29H26N4O4/c34-26(33-12-11-21-18-22(9-10-25(21)33)29(36)32-13-15-37-16-14-32)17-19-5-7-20(8-6-19)27-23-3-1-2-4-24(23)28(35)31-30-27/h1-10,18H,11-17H2,(H,31,35)
InChIKeyXUWSXVRYZVDACH-UHFFFAOYSA-N
XLogP3.19
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one with MolForge

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Related Compounds

4-[4-[2-[6-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one
CID 118556562
4-[4-[2-[6-(4-hydroxypiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one
CID 118556549
4-[4-[2-(6-ethoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one
CID 90299602
4-[4-[2-[7-bromo-5-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one
CID 90299351
2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 53109904
4-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one
CID 118556646
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 39938891
1-[6-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 53014611
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789812
N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55868165
[5-(1H-indazol-3-yl)thiophen-3-yl]-morpholin-4-ylmethanone
CID 146637981
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one
CID 4794809

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one (CID 118556497) is 4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one is O=C(c1ccc2c(c1)CCN2C(=O)Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one?
The InChIKey is XUWSXVRYZVDACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4/c34-26(33-12-11-21-18-22(9-10-25(21)33)29(36)32-13-15-37-16-14-32)17-19-5-7-20(8-6-19)27-23-3-1-2-4-24(23)28(35)31-30-27/h1-10,18H,11-17H2,(H,31,35).
What are the key properties of 4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one?
4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one has a molecular weight of 494.55 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one is sourced from PubChem (CID 118556497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).