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

C20H16N2O4 — CID 67918122

IUPAC7-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
SMILESCNC(=O)c1cc2c3[nH]c4cc5c(cc4cc-3cc2cc1OC)OCO5
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/h3-8,22H,9H2,1-2H3,(H,21,23)
InChIKeyJJSSYPCBRKQKRC-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.52
Rot. Bonds2

About 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

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 (PubChem CID 67918122) 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(20),3,5,7,9,11,13,15(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(20),3,5,7,9,11,13,15(19)-octaene-6-carboxamide
PubChem CID67918122
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(20),3,5,7,9,11,13,15(19)-octaene-6-carboxamide
SMILESCNC(=O)c1cc2c3[nH]c4cc5c(cc4cc-3cc2cc1OC)OCO5
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/h3-8,22H,9H2,1-2H3,(H,21,23)
InChIKeyJJSSYPCBRKQKRC-UHFFFAOYSA-N
XLogP3.52
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-methylfuro[2,3-f][1,3]benzodioxole-6-carboxamide
CID 139623375
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide
CID 23555608
1-(6-methoxy-1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one
CID 132988636
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110326136
5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl chloride
CID 10822981
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
methyl 3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate
CID 16768515
methyl 2-methoxy-4-[2-[6-[2-(3-methoxy-4-methoxycarbonylphenyl)ethynyl]-1,3-benzodioxol-5-yl]ethynyl]benzoate
CID 170459720
1-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
CID 3194970
4,5,6-trimethoxy-18,20-dioxa-11-azapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,8,13,15,17(21)-octaene-10,12-dione
CID 77461232
1-[(4-fluorophenyl)methyl]-3-methyl-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]thiourea
CID 3175818

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(20),3,5,7,9,11,13,15(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(20),3,5,7,9,11,13,15(19)-octaene-6-carboxamide (CID 67918122) is 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.
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(20),3,5,7,9,11,13,15(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(20),3,5,7,9,11,13,15(19)-octaene-6-carboxamide is CNC(=O)c1cc2c3[nH]c4cc5c(cc4cc-3cc2cc1OC)OCO5.
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(20),3,5,7,9,11,13,15(19)-octaene-6-carboxamide?
The InChIKey is JJSSYPCBRKQKRC-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/h3-8,22H,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(20),3,5,7,9,11,13,15(19)-octaene-6-carboxamide?
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 has a molecular weight of 348.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 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(20),3,5,7,9,11,13,15(19)-octaene-6-carboxamide is sourced from PubChem (CID 67918122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).