1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine

C25H31FN4O3 — CID 143159535

IUPAC1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine
SMILESCNCc1cc2c(cc1F)OCCO2.COc1ccc2nccc(CCN3CCCC3)c2n1
InChIInChI=1S/C15H19N3O.C10H12FNO2/c1-19-14-5-4-13-15(17-14)12(6-8-16-13)7-11-18-9-2-3-10-18;1-12-6-7-4-9-10(5-8(7)11)14-3-2-13-9/h4-6,8H,2-3,7,9-11H2,1H3;4-5,12H,2-3,6H2,1H3
InChIKeyVSMJXOJVFBTBMG-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.59
Rot. Bonds6

About 1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine

1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine (PubChem CID 143159535) has the molecular formula C25H31FN4O3 and a molecular weight of 454.55 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine
PubChem CID143159535
Molecular FormulaC25H31FN4O3
Molecular Weight454.55 g/mol
Exact Mass454.24
IUPAC Name1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine
SMILESCNCc1cc2c(cc1F)OCCO2.COc1ccc2nccc(CCN3CCCC3)c2n1
InChIInChI=1S/C15H19N3O.C10H12FNO2/c1-19-14-5-4-13-15(17-14)12(6-8-16-13)7-11-18-9-2-3-10-18;1-12-6-7-4-9-10(5-8(7)11)14-3-2-13-9/h4-6,8H,2-3,7,9-11H2,1H3;4-5,12H,2-3,6H2,1H3
InChIKeyVSMJXOJVFBTBMG-UHFFFAOYSA-N
XLogP3.59
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine?
The IUPAC name of 1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine (CID 143159535) is 1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine?
The canonical SMILES for 1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine is CNCc1cc2c(cc1F)OCCO2.COc1ccc2nccc(CCN3CCCC3)c2n1.
What is the InChIKey of 1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine?
The InChIKey is VSMJXOJVFBTBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.C10H12FNO2/c1-19-14-5-4-13-15(17-14)12(6-8-16-13)7-11-18-9-2-3-10-18;1-12-6-7-4-9-10(5-8(7)11)14-3-2-13-9/h4-6,8H,2-3,7,9-11H2,1H3;4-5,12H,2-3,6H2,1H3.
What are the key properties of 1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine?
1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine has a molecular weight of 454.55 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine is sourced from PubChem (CID 143159535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).