1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one

C25H28N4O5 — CID 42925315

IUPAC1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CCC(=O)N2CC(C(=O)N3CCOCC3)Oc3ccccc32)c2ccccc21
InChIInChI=1S/C25H28N4O5/c1-2-27-18-7-3-4-8-19(18)28(25(27)32)12-11-23(30)29-17-22(24(31)26-13-15-33-16-14-26)34-21-10-6-5-9-20(21)29/h3-10,22H,2,11-17H2,1H3
InChIKeyFDZJNYQYBLOIEP-UHFFFAOYSA-N
MW464.52 g/mol
LogP1.87
Rot. Bonds5

About 1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one

1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one (PubChem CID 42925315) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one
PubChem CID42925315
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CCC(=O)N2CC(C(=O)N3CCOCC3)Oc3ccccc32)c2ccccc21
InChIInChI=1S/C25H28N4O5/c1-2-27-18-7-3-4-8-19(18)28(25(27)32)12-11-23(30)29-17-22(24(31)26-13-15-33-16-14-26)34-21-10-6-5-9-20(21)29/h3-10,22H,2,11-17H2,1H3
InChIKeyFDZJNYQYBLOIEP-UHFFFAOYSA-N
XLogP1.87
TPSA86.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one with MolForge

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Related Compounds

4-methyl-3-[2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-one
CID 9450417
2-[3-[(2R)-2-(4-methylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]isoindole-1,3-dione
CID 51952111
3-methyl-N-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzamide
CID 24506179
3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
CID 24524950
cyclopentyl-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 71901442
3-(benzimidazol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
CID 25352199
[(2R)-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 9246660
2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 24506214
2-(3-methoxyphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 27446738
N-[4-[2-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 24571008
1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-(2-nitroanilino)propan-1-one
CID 24628005
4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one
CID 27446764

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one (CID 42925315) is 1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one is CCn1c(=O)n(CCC(=O)N2CC(C(=O)N3CCOCC3)Oc3ccccc32)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one?
The InChIKey is FDZJNYQYBLOIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-2-27-18-7-3-4-8-19(18)28(25(27)32)12-11-23(30)29-17-22(24(31)26-13-15-33-16-14-26)34-21-10-6-5-9-20(21)29/h3-10,22H,2,11-17H2,1H3.
What are the key properties of 1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one?
1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one has a molecular weight of 464.52 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one is sourced from PubChem (CID 42925315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).