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

C25H29NO3 — CID 10157287

IUPAC9-ethoxy-10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESC=CCC1Oc2ccc(OCC)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C25H29NO3/c1-7-9-18-22-16(10-11-17-21(22)15(3)14-25(4,5)26-17)23-19(29-18)12-13-20(28-8-2)24(23)27-6/h7,10-14,18,26H,1,8-9H2,2-6H3
InChIKeyNYVPFFGPGWDQNH-UHFFFAOYSA-N
MW391.51 g/mol
LogP6.38
Rot. Bonds5

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

9-ethoxy-10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 10157287) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 9-ethoxy-10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name9-ethoxy-10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID10157287
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name9-ethoxy-10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESC=CCC1Oc2ccc(OCC)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C25H29NO3/c1-7-9-18-22-16(10-11-17-21(22)15(3)14-25(4,5)26-17)23-19(29-18)12-13-20(28-8-2)24(23)27-6/h7,10-14,18,26H,1,8-9H2,2-6H3
InChIKeyNYVPFFGPGWDQNH-UHFFFAOYSA-N
XLogP6.38
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-ethoxy-10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 9-ethoxy-10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 10157287) is 9-ethoxy-10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 9-ethoxy-10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 9-ethoxy-10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline is C=CCC1Oc2ccc(OCC)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.
What is the InChIKey of 9-ethoxy-10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is NYVPFFGPGWDQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-7-9-18-22-16(10-11-17-21(22)15(3)14-25(4,5)26-17)23-19(29-18)12-13-20(28-8-2)24(23)27-6/h7,10-14,18,26H,1,8-9H2,2-6H3.
What are the key properties of 9-ethoxy-10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline?
9-ethoxy-10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 391.51 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxy-10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 10157287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).