7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6-carboxamide

C20H16N2O4 — CID 19021685

IUPAC7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6-carboxamide
SMILESCNC(=O)c1cc2c(cc1OC)Cc1cc3cc4c(cc3nc1-2)OCO4
InChIInChI=1S/C20H16N2O4/c1-21-20(23)14-7-13-10(5-16(14)24-2)3-12-4-11-6-17-18(26-9-25-17)8-15(11)22-19(12)13/h4-8H,3,9H2,1-2H3,(H,21,23)
InChIKeyHKGMXGXPZFMKML-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.90
Rot. Bonds2

About 7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6-carboxamide

7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6-carboxamide (PubChem CID 19021685) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6-carboxamide
PubChem CID19021685
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6-carboxamide
SMILESCNC(=O)c1cc2c(cc1OC)Cc1cc3cc4c(cc3nc1-2)OCO4
InChIInChI=1S/C20H16N2O4/c1-21-20(23)14-7-13-10(5-16(14)24-2)3-12-4-11-6-17-18(26-9-25-17)8-15(11)22-19(12)13/h4-8H,3,9H2,1-2H3,(H,21,23)
InChIKeyHKGMXGXPZFMKML-UHFFFAOYSA-N
XLogP2.90
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6-carboxamide with MolForge

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Related Compounds

16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6,7-diol
CID 135795181
7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),3,5,7,9,11,13,15(19)-octaene-6-carboxamide
CID 67918122
16,17-dimethoxy-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-20-carboxylic acid
CID 67471896
1-(6-methoxy-1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one
CID 132988636
methyl 2-methoxy-4-[2-[6-[2-(3-methoxy-4-methoxycarbonylphenyl)ethynyl]-1,3-benzodioxol-5-yl]ethynyl]benzoate
CID 170459720
propyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 10588363
N-methylfuro[2,3-f][1,3]benzodioxole-6-carboxamide
CID 139623375
5-(1,3-benzodioxol-5-yl)-N-[(2,4-dihydroxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 134227136
6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 4183514
N-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-3,4-dimethoxybenzamide
CID 43815489
2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide
CID 178150209
6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline
CID 849845

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6-carboxamide?
The IUPAC name of 7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6-carboxamide (CID 19021685) is 7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6-carboxamide.
What is the SMILES notation for 7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6-carboxamide?
The canonical SMILES for 7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6-carboxamide is CNC(=O)c1cc2c(cc1OC)Cc1cc3cc4c(cc3nc1-2)OCO4.
What is the InChIKey of 7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6-carboxamide?
The InChIKey is HKGMXGXPZFMKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-21-20(23)14-7-13-10(5-16(14)24-2)3-12-4-11-6-17-18(26-9-25-17)8-15(11)22-19(12)13/h4-8H,3,9H2,1-2H3,(H,21,23).
What are the key properties of 7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6-carboxamide?
7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,19-octaene-6-carboxamide is sourced from PubChem (CID 19021685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).