(6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone

C18H16N2O4 — CID 68911535

IUPAC(6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1oc2nc3c(cc2c1N)COCC3
InChIInChI=1S/C18H16N2O4/c1-22-14-5-3-2-4-11(14)16(21)17-15(19)12-8-10-9-23-7-6-13(10)20-18(12)24-17/h2-5,8H,6-7,9,19H2,1H3
InChIKeyTXARJYMJSMUIQO-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.72
Rot. Bonds3

About (6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone

(6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone (PubChem CID 68911535) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is (6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone
PubChem CID68911535
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name(6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1oc2nc3c(cc2c1N)COCC3
InChIInChI=1S/C18H16N2O4/c1-22-14-5-3-2-4-11(14)16(21)17-15(19)12-8-10-9-23-7-6-13(10)20-18(12)24-17/h2-5,8H,6-7,9,19H2,1H3
InChIKeyTXARJYMJSMUIQO-UHFFFAOYSA-N
XLogP2.72
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

1-(2-amino-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone
CID 105446020
(3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone
CID 622395
(2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880611
7,8-dimethoxy-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473119
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 71794719
2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methanone
CID 43338938
methyl 7,8-dihydro-5H-pyrano[4,3-b]pyridine-2-carboxylate
CID 163390818
(3-amino-2-methylphenyl)-(2-methoxyphenyl)methanone
CID 82044477
(3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone
CID 169227035
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
(3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone
CID 58707366
(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107469285

Frequently Asked Questions

What is the IUPAC name of (6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone (CID 68911535) is (6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1oc2nc3c(cc2c1N)COCC3.
What is the InChIKey of (6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone?
The InChIKey is TXARJYMJSMUIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-22-14-5-3-2-4-11(14)16(21)17-15(19)12-8-10-9-23-7-6-13(10)20-18(12)24-17/h2-5,8H,6-7,9,19H2,1H3.
What are the key properties of (6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone?
(6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone has a molecular weight of 324.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 68911535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).