17-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione

C30H33N5O8 — CID 137341004

IUPAC17-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione
SMILESCOc1ccc2cc1OCCCN(C(=O)c1cc(=O)n(C)c(=O)n1C)CC(=O)NCCOc1ccc3c(c1)NC(=O)CC23
InChIInChI=1S/C30H33N5O8/c1-33-23(16-28(38)34(2)30(33)40)29(39)35-10-4-11-43-25-13-18(5-8-24(25)41-3)21-15-26(36)32-22-14-19(6-7-20(21)22)42-12-9-31-27(37)17-35/h5-8,13-14,16,21H,4,9-12,15,17H2,1-3H3,(H,31,37)(H,32,36)
InChIKeyFDRVZFQTVZKHHH-UHFFFAOYSA-N
MW591.62 g/mol
LogP0.99
Rot. Bonds2

About 17-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione

17-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione (PubChem CID 137341004) has the molecular formula C30H33N5O8 and a molecular weight of 591.62 g/mol. Its IUPAC name is 17-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione.

Molecular Properties

Compound Name17-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione
PubChem CID137341004
Molecular FormulaC30H33N5O8
Molecular Weight591.62 g/mol
Exact Mass591.23
IUPAC Name17-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione
SMILESCOc1ccc2cc1OCCCN(C(=O)c1cc(=O)n(C)c(=O)n1C)CC(=O)NCCOc1ccc3c(c1)NC(=O)CC23
InChIInChI=1S/C30H33N5O8/c1-33-23(16-28(38)34(2)30(33)40)29(39)35-10-4-11-43-25-13-18(5-8-24(25)41-3)21-15-26(36)32-22-14-19(6-7-20(21)22)42-12-9-31-27(37)17-35/h5-8,13-14,16,21H,4,9-12,15,17H2,1-3H3,(H,31,37)(H,32,36)
InChIKeyFDRVZFQTVZKHHH-UHFFFAOYSA-N
XLogP0.99
TPSA150.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.62
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'crown_ether', 'substructure': 'N/A'}

Analyze 17-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione with MolForge

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Related Compounds

23-methoxy-17-(pyridine-4-carbonyl)-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione
CID 137343175
17-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione
CID 137343459
23-methoxy-17-(pyridine-3-carbonyl)-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione
CID 137340415
17-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-24-methoxy-11,22-dioxa-5,14,17-triazatetracyclo[21.3.1.16,10.02,7]octacosa-1(27),6,8,10(28),23,25-hexaene-4,15-dione
CID 137342178
24-methoxy-17-(2-thiophen-2-ylacetyl)-11,22-dioxa-5,14,17-triazatetracyclo[21.3.1.16,10.02,7]octacosa-1(27),6,8,10(28),23,25-hexaene-4,15-dione
CID 137340390
(4S)-4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 707554
8-(3-chloro-4-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 17285471
(12R)-16-(imidazo[1,2-b]pyridazine-3-carbonyl)-22-methoxy-12-propan-2-yl-20-oxa-3,6,10,13,16-pentazatricyclo[19.3.1.02,6]pentacosa-1(25),2,4,21,23-pentaene-11,14-dione
CID 157016134
(2S,6R)-10-(4-chloro-2-fluorobenzoyl)-4-(1,5-dimethylpyrazole-3-carbonyl)-16-methoxy-14-oxa-4,7,10-triazatricyclo[13.3.1.02,6]nonadeca-1(19),15,17-trien-8-one
CID 157011880
(1R,17R,18S)-12-(5-acetylthiophene-2-carbonyl)-5-methoxy-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-trien-14-one
CID 135117891
9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2984139
(1R,17R,18S)-5-methoxy-12-(pyridine-3-carbonyl)-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-trien-14-one
CID 135105812

Frequently Asked Questions

What is the IUPAC name of 17-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione?
The IUPAC name of 17-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione (CID 137341004) is 17-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione.
What is the SMILES notation for 17-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione?
The canonical SMILES for 17-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione is COc1ccc2cc1OCCCN(C(=O)c1cc(=O)n(C)c(=O)n1C)CC(=O)NCCOc1ccc3c(c1)NC(=O)CC23.
What is the InChIKey of 17-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione?
The InChIKey is FDRVZFQTVZKHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O8/c1-33-23(16-28(38)34(2)30(33)40)29(39)35-10-4-11-43-25-13-18(5-8-24(25)41-3)21-15-26(36)32-22-14-19(6-7-20(21)22)42-12-9-31-27(37)17-35/h5-8,13-14,16,21H,4,9-12,15,17H2,1-3H3,(H,31,37)(H,32,36).
What are the key properties of 17-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione?
17-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione has a molecular weight of 591.62 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-23-methoxy-11,21-dioxa-5,14,17-triazatetracyclo[20.3.1.16,10.02,7]heptacosa-1(26),6,8,10(27),22,24-hexaene-4,15-dione is sourced from PubChem (CID 137341004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).