6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one

C29H31N3O3 — CID 134391001

IUPAC6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one
SMILESCCc1c(C)cc2c(ccc(=O)n2CCN2CCOCC2)c1-c1ccc2c3c(ccnc13)CCO2
InChIInChI=1S/C29H31N3O3/c1-3-21-19(2)18-24-22(5-7-26(33)32(24)12-11-31-13-16-34-17-14-31)28(21)23-4-6-25-27-20(9-15-35-25)8-10-30-29(23)27/h4-8,10,18H,3,9,11-17H2,1-2H3
InChIKeyJWMFVBWEIJBDNQ-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.35
Rot. Bonds5

About 6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one

6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one (PubChem CID 134391001) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one
PubChem CID134391001
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one
SMILESCCc1c(C)cc2c(ccc(=O)n2CCN2CCOCC2)c1-c1ccc2c3c(ccnc13)CCO2
InChIInChI=1S/C29H31N3O3/c1-3-21-19(2)18-24-22(5-7-26(33)32(24)12-11-31-13-16-34-17-14-31)28(21)23-4-6-25-27-20(9-15-35-25)8-10-30-29(23)27/h4-8,10,18H,3,9,11-17H2,1-2H3
InChIKeyJWMFVBWEIJBDNQ-UHFFFAOYSA-N
XLogP4.35
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one?
The IUPAC name of 6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one (CID 134391001) is 6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one.
What is the SMILES notation for 6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one?
The canonical SMILES for 6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one is CCc1c(C)cc2c(ccc(=O)n2CCN2CCOCC2)c1-c1ccc2c3c(ccnc13)CCO2.
What is the InChIKey of 6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one?
The InChIKey is JWMFVBWEIJBDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-3-21-19(2)18-24-22(5-7-26(33)32(24)12-11-31-13-16-34-17-14-31)28(21)23-4-6-25-27-20(9-15-35-25)8-10-30-29(23)27/h4-8,10,18H,3,9,11-17H2,1-2H3.
What are the key properties of 6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one?
6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one has a molecular weight of 469.59 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one is sourced from PubChem (CID 134391001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).