3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one

C34H40N6O8 — CID 172661587

IUPAC3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one
SMILESCOc1ccc2cc1-c1cc3c(c(c1)OCCCCN(C(=O)c1cn(C)cn1)CCCNC2=O)OCCN(C(=O)CN1CCOC1=O)C3
InChIInChI=1S/C34H40N6O8/c1-37-20-27(36-22-37)33(43)38-9-3-4-13-46-29-18-24(26-17-23(6-7-28(26)45-2)32(42)35-8-5-10-38)16-25-19-39(11-14-47-31(25)29)30(41)21-40-12-15-48-34(40)44/h6-7,16-18,20,22H,3-5,8-15,19,21H2,1-2H3,(H,35,42)
InChIKeyPSZADXFATFSWHP-UHFFFAOYSA-N
MW660.73 g/mol
LogP2.70
Rot. Bonds4

About 3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one

3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one (PubChem CID 172661587) has the molecular formula C34H40N6O8 and a molecular weight of 660.73 g/mol. Its IUPAC name is 3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one.

Molecular Properties

Compound Name3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one
PubChem CID172661587
Molecular FormulaC34H40N6O8
Molecular Weight660.73 g/mol
Exact Mass660.29
IUPAC Name3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one
SMILESCOc1ccc2cc1-c1cc3c(c(c1)OCCCCN(C(=O)c1cn(C)cn1)CCCNC2=O)OCCN(C(=O)CN1CCOC1=O)C3
InChIInChI=1S/C34H40N6O8/c1-37-20-27(36-22-37)33(43)38-9-3-4-13-46-29-18-24(26-17-23(6-7-28(26)45-2)32(42)35-8-5-10-38)16-25-19-39(11-14-47-31(25)29)30(41)21-40-12-15-48-34(40)44/h6-7,16-18,20,22H,3-5,8-15,19,21H2,1-2H3,(H,35,42)
InChIKeyPSZADXFATFSWHP-UHFFFAOYSA-N
XLogP2.70
TPSA144.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500660.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one with MolForge

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Related Compounds

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CID 172673646
3-methoxy-13-(2-methylsulfanylpyridine-3-carbonyl)-23-(5-oxopyrrolidine-2-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one
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CID 172663904
5-fluoro-13-[3-(tetrazol-1-yl)propanoyl]-22-[(2,4,5-trimethoxyphenyl)methyl]-16,19-dioxa-8,13,22-triazatetracyclo[15.8.1.12,6.018,24]heptacosa-1(25),2(27),3,5,17(26),18(24)-hexaen-7-one
CID 172666351
1-[7-(5-chloro-2-methoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one
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CID 20703282
1'-(1-methylimidazole-4-carbonyl)spiro[2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,4'-piperidine]-8,13-dione
CID 110063229
(4R)-1-[2-[7-(2,6-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 26350124
(4S)-1-[2-[7-(2,6-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 26350127

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one?
The IUPAC name of 3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one (CID 172661587) is 3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one.
What is the SMILES notation for 3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one?
The canonical SMILES for 3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one is COc1ccc2cc1-c1cc3c(c(c1)OCCCCN(C(=O)c1cn(C)cn1)CCCNC2=O)OCCN(C(=O)CN1CCOC1=O)C3.
What is the InChIKey of 3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one?
The InChIKey is PSZADXFATFSWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6O8/c1-37-20-27(36-22-37)33(43)38-9-3-4-13-46-29-18-24(26-17-23(6-7-28(26)45-2)32(42)35-8-5-10-38)16-25-19-39(11-14-47-31(25)29)30(41)21-40-12-15-48-34(40)44/h6-7,16-18,20,22H,3-5,8-15,19,21H2,1-2H3,(H,35,42).
What are the key properties of 3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one?
3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one has a molecular weight of 660.73 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one is sourced from PubChem (CID 172661587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).