N-ethyl-3-(5-fluoro-1H-indol-3-yl)-N-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]propan-1-amine

C24H26FN3O3 — CID 10477388

IUPACN-ethyl-3-(5-fluoro-1H-indol-3-yl)-N-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]propan-1-amine
SMILESCCN(CCCc1c[nH]c2ccc(F)cc12)CC1COc2ccc3nc(C)oc3c2O1
InChIInChI=1S/C24H26FN3O3/c1-3-28(10-4-5-16-12-26-20-7-6-17(25)11-19(16)20)13-18-14-29-22-9-8-21-23(24(22)31-18)30-15(2)27-21/h6-9,11-12,18,26H,3-5,10,13-14H2,1-2H3
InChIKeyYJQWJWKHBAUZML-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.85
Rot. Bonds7

About N-ethyl-3-(5-fluoro-1H-indol-3-yl)-N-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]propan-1-amine

N-ethyl-3-(5-fluoro-1H-indol-3-yl)-N-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]propan-1-amine (PubChem CID 10477388) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-ethyl-3-(5-fluoro-1H-indol-3-yl)-N-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(5-fluoro-1H-indol-3-yl)-N-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]propan-1-amine
PubChem CID10477388
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC NameN-ethyl-3-(5-fluoro-1H-indol-3-yl)-N-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]propan-1-amine
SMILESCCN(CCCc1c[nH]c2ccc(F)cc12)CC1COc2ccc3nc(C)oc3c2O1
InChIInChI=1S/C24H26FN3O3/c1-3-28(10-4-5-16-12-26-20-7-6-17(25)11-19(16)20)13-18-14-29-22-9-8-21-23(24(22)31-18)30-15(2)27-21/h6-9,11-12,18,26H,3-5,10,13-14H2,1-2H3
InChIKeyYJQWJWKHBAUZML-UHFFFAOYSA-N
XLogP4.85
TPSA63.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-fluoro-1H-indol-3-yl)-N-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]propan-1-amine?
The IUPAC name of N-ethyl-3-(5-fluoro-1H-indol-3-yl)-N-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]propan-1-amine (CID 10477388) is N-ethyl-3-(5-fluoro-1H-indol-3-yl)-N-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-(5-fluoro-1H-indol-3-yl)-N-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]propan-1-amine?
The canonical SMILES for N-ethyl-3-(5-fluoro-1H-indol-3-yl)-N-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]propan-1-amine is CCN(CCCc1c[nH]c2ccc(F)cc12)CC1COc2ccc3nc(C)oc3c2O1.
What is the InChIKey of N-ethyl-3-(5-fluoro-1H-indol-3-yl)-N-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]propan-1-amine?
The InChIKey is YJQWJWKHBAUZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-3-28(10-4-5-16-12-26-20-7-6-17(25)11-19(16)20)13-18-14-29-22-9-8-21-23(24(22)31-18)30-15(2)27-21/h6-9,11-12,18,26H,3-5,10,13-14H2,1-2H3.
What are the key properties of N-ethyl-3-(5-fluoro-1H-indol-3-yl)-N-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]propan-1-amine?
N-ethyl-3-(5-fluoro-1H-indol-3-yl)-N-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]propan-1-amine has a molecular weight of 423.49 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-fluoro-1H-indol-3-yl)-N-[(2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl]propan-1-amine is sourced from PubChem (CID 10477388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).