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

C24H25NO3 — CID 10926892

IUPACmethyl 2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-10-carboxylate
SMILESC=CCC1Oc2cccc(C(=O)OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C24H25NO3/c1-6-8-18-22-15(11-12-17-20(22)14(2)13-24(3,4)25-17)21-16(23(26)27-5)9-7-10-19(21)28-18/h6-7,9-13,18,25H,1,8H2,2-5H3
InChIKeyATDPSUIIYYUMNQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.76
Rot. Bonds3

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

methyl 2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-10-carboxylate (PubChem CID 10926892) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is methyl 2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-10-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-10-carboxylate
PubChem CID10926892
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Namemethyl 2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-10-carboxylate
SMILESC=CCC1Oc2cccc(C(=O)OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C24H25NO3/c1-6-8-18-22-15(11-12-17-20(22)14(2)13-24(3,4)25-17)21-16(23(26)27-5)9-7-10-19(21)28-18/h6-7,9-13,18,25H,1,8H2,2-5H3
InChIKeyATDPSUIIYYUMNQ-UHFFFAOYSA-N
XLogP5.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-10-carboxylate?
The IUPAC name of methyl 2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-10-carboxylate (CID 10926892) is methyl 2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-10-carboxylate.
What is the SMILES notation for methyl 2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-10-carboxylate?
The canonical SMILES for methyl 2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-10-carboxylate is C=CCC1Oc2cccc(C(=O)OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.
What is the InChIKey of methyl 2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-10-carboxylate?
The InChIKey is ATDPSUIIYYUMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-6-8-18-22-15(11-12-17-20(22)14(2)13-24(3,4)25-17)21-16(23(26)27-5)9-7-10-19(21)28-18/h6-7,9-13,18,25H,1,8H2,2-5H3.
What are the key properties of methyl 2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-10-carboxylate?
methyl 2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-10-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-10-carboxylate is sourced from PubChem (CID 10926892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).