4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one

C25H26N4O5 — CID 27446764

IUPAC4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one
SMILESCCCn1nc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c2ccccc2c1=O
InChIInChI=1S/C25H26N4O5/c1-2-11-29-23(30)18-8-4-3-7-17(18)22(26-29)25(32)28-16-21(24(31)27-12-14-33-15-13-27)34-20-10-6-5-9-19(20)28/h3-10,21H,2,11-16H2,1H3/t21-/m0/s1
InChIKeyLUTAXKGRDDWUBS-NRFANRHFSA-N
MW462.51 g/mol
LogP2.07
Rot. Bonds4

About 4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one

4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one (PubChem CID 27446764) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is 4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one.

Molecular Properties

Compound Name4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one
PubChem CID27446764
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC Name4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one
SMILESCCCn1nc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c2ccccc2c1=O
InChIInChI=1S/C25H26N4O5/c1-2-11-29-23(30)18-8-4-3-7-17(18)22(26-29)25(32)28-16-21(24(31)27-12-14-33-15-13-27)34-20-10-6-5-9-19(20)28/h3-10,21H,2,11-16H2,1H3/t21-/m0/s1
InChIKeyLUTAXKGRDDWUBS-NRFANRHFSA-N
XLogP2.07
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one with MolForge

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Related Compounds

4-oxo-3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]phthalazine-1-carboxamide
CID 41217382
[(2R)-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 9246660
4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 2108113
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one
CID 2594981
[4-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 17464763
[(2S)-4-(3-bromobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 27446704
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate
CID 16502494
[(2S)-4-(3,5-dichlorobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 27446728
morpholin-4-yl-[(2R)-4-(quinoxaline-2-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanone
CID 9450478
1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one
CID 42925315
cyclopentyl-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 71901442
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 46539232

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one?
The IUPAC name of 4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one (CID 27446764) is 4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one.
What is the SMILES notation for 4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one?
The canonical SMILES for 4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one is CCCn1nc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c2ccccc2c1=O.
What is the InChIKey of 4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one?
The InChIKey is LUTAXKGRDDWUBS-NRFANRHFSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-2-11-29-23(30)18-8-4-3-7-17(18)22(26-29)25(32)28-16-21(24(31)27-12-14-33-15-13-27)34-20-10-6-5-9-19(20)28/h3-10,21H,2,11-16H2,1H3/t21-/m0/s1.
What are the key properties of 4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one?
4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one has a molecular weight of 462.51 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one is sourced from PubChem (CID 27446764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).