[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C25H23N4O4+ — CID 135724954

IUPAC[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCOc1cc2c(cc1NC(=O)C[NH+](C)Cc1nc3ccccc3c(=O)[nH]1)oc1ccccc12
InChIInChI=1S/C25H22N4O4/c1-29(13-23-26-18-9-5-3-8-16(18)25(31)28-23)14-24(30)27-19-12-21-17(11-22(19)32-2)15-7-4-6-10-20(15)33-21/h3-12H,13-14H2,1-2H3,(H,27,30)(H,26,28,31)/p+1
InChIKeyKDGADPAAPREQLF-UHFFFAOYSA-O
MW443.48 g/mol
LogP2.48
Rot. Bonds6

About [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135724954) has the molecular formula C25H23N4O4+ and a molecular weight of 443.48 g/mol. Its IUPAC name is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
PubChem CID135724954
Molecular FormulaC25H23N4O4+
Molecular Weight443.48 g/mol
Exact Mass443.17
IUPAC Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCOc1cc2c(cc1NC(=O)C[NH+](C)Cc1nc3ccccc3c(=O)[nH]1)oc1ccccc12
InChIInChI=1S/C25H22N4O4/c1-29(13-23-26-18-9-5-3-8-16(18)25(31)28-23)14-24(30)27-19-12-21-17(11-22(19)32-2)15-7-4-6-10-20(15)33-21/h3-12H,13-14H2,1-2H3,(H,27,30)(H,26,28,31)/p+1
InChIKeyKDGADPAAPREQLF-UHFFFAOYSA-O
XLogP2.48
TPSA101.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium with MolForge

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Related Compounds

furan-2-ylmethyl-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylazanium
CID 9334151
[2-(tert-butylamino)-2-oxoethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylazanium
CID 8766963
ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808327
[2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809401
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
N-(2-methoxydibenzofuran-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2684570
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 8863615
2-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826575
2-methoxyethyl-[2-(2-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809357
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 24524487
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 2435948

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135724954) is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.
What is the SMILES notation for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The canonical SMILES for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is COc1cc2c(cc1NC(=O)C[NH+](C)Cc1nc3ccccc3c(=O)[nH]1)oc1ccccc12.
What is the InChIKey of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The InChIKey is KDGADPAAPREQLF-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H22N4O4/c1-29(13-23-26-18-9-5-3-8-16(18)25(31)28-23)14-24(30)27-19-12-21-17(11-22(19)32-2)15-7-4-6-10-20(15)33-21/h3-12H,13-14H2,1-2H3,(H,27,30)(H,26,28,31)/p+1.
What are the key properties of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 443.48 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135724954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).