[2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone

C26H25N3O3 — CID 23043684

IUPAC[2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone
SMILESCc1c(C(=O)c2ccnc3ccccc23)c2cccc3c2n1C(CN1CCOCC1)CO3
InChIInChI=1S/C26H25N3O3/c1-17-24(26(30)20-9-10-27-22-7-3-2-5-19(20)22)21-6-4-8-23-25(21)29(17)18(16-32-23)15-28-11-13-31-14-12-28/h2-10,18H,11-16H2,1H3
InChIKeyJICVEKBUWYIDGN-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.99
Rot. Bonds4

About [2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone

[2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone (PubChem CID 23043684) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is [2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone
PubChem CID23043684
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name[2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone
SMILESCc1c(C(=O)c2ccnc3ccccc23)c2cccc3c2n1C(CN1CCOCC1)CO3
InChIInChI=1S/C26H25N3O3/c1-17-24(26(30)20-9-10-27-22-7-3-2-5-19(20)22)21-6-4-8-23-25(21)29(17)18(16-32-23)15-28-11-13-31-14-12-28/h2-10,18H,11-16H2,1H3
InChIKeyJICVEKBUWYIDGN-UHFFFAOYSA-N
XLogP3.99
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone?
The IUPAC name of [2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone (CID 23043684) is [2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone.
What is the SMILES notation for [2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone?
The canonical SMILES for [2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone is Cc1c(C(=O)c2ccnc3ccccc23)c2cccc3c2n1C(CN1CCOCC1)CO3.
What is the InChIKey of [2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone?
The InChIKey is JICVEKBUWYIDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-17-24(26(30)20-9-10-27-22-7-3-2-5-19(20)22)21-6-4-8-23-25(21)29(17)18(16-32-23)15-28-11-13-31-14-12-28/h2-10,18H,11-16H2,1H3.
What are the key properties of [2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone?
[2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone has a molecular weight of 427.50 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone is sourced from PubChem (CID 23043684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).