methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate

C25H27NO4 — CID 11069511

IUPACmethyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate
SMILESC=CCC1Oc2ccc(C(=O)OC)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C25H27NO4/c1-7-8-18-21-15(9-11-17-20(21)14(2)13-25(3,4)26-17)22-19(30-18)12-10-16(23(22)28-5)24(27)29-6/h7,9-13,18,26H,1,8H2,2-6H3
InChIKeyDQMJJYWWVJPLDX-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.77
Rot. Bonds4

About methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate

methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate (PubChem CID 11069511) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate.

Molecular Properties

Compound Namemethyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate
PubChem CID11069511
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Namemethyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate
SMILESC=CCC1Oc2ccc(C(=O)OC)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C25H27NO4/c1-7-8-18-21-15(9-11-17-20(21)14(2)13-25(3,4)26-17)22-19(30-18)12-10-16(23(22)28-5)24(27)29-6/h7,9-13,18,26H,1,8H2,2-6H3
InChIKeyDQMJJYWWVJPLDX-UHFFFAOYSA-N
XLogP5.77
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate?
The IUPAC name of methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate (CID 11069511) is methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate.
What is the SMILES notation for methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate?
The canonical SMILES for methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate is C=CCC1Oc2ccc(C(=O)OC)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.
What is the InChIKey of methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate?
The InChIKey is DQMJJYWWVJPLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-7-8-18-21-15(9-11-17-20(21)14(2)13-25(3,4)26-17)22-19(30-18)12-10-16(23(22)28-5)24(27)29-6/h7,9-13,18,26H,1,8H2,2-6H3.
What are the key properties of methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate?
methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate has a molecular weight of 405.49 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate is sourced from PubChem (CID 11069511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).