1-[(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-hydroxymethyl]-3-(4-methylphenyl)pyrrolidin-3-ol

C23H24FN3O3 — CID 165081384

IUPAC1-[(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-hydroxymethyl]-3-(4-methylphenyl)pyrrolidin-3-ol
SMILESCc1ccc(C2(O)CCN(C(O)c3cc4c5c(c(N)nc4cc3F)COC5)C2)cc1
InChIInChI=1S/C23H24FN3O3/c1-13-2-4-14(5-3-13)23(29)6-7-27(12-23)22(28)16-8-15-17-10-30-11-18(17)21(25)26-20(15)9-19(16)24/h2-5,8-9,22,28-29H,6-7,10-12H2,1H3,(H2,25,26)
InChIKeyVEJUPKKTDHUJAF-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.88
Rot. Bonds3

About 1-[(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-hydroxymethyl]-3-(4-methylphenyl)pyrrolidin-3-ol

1-[(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-hydroxymethyl]-3-(4-methylphenyl)pyrrolidin-3-ol (PubChem CID 165081384) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 1-[(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-hydroxymethyl]-3-(4-methylphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-hydroxymethyl]-3-(4-methylphenyl)pyrrolidin-3-ol
PubChem CID165081384
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name1-[(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-hydroxymethyl]-3-(4-methylphenyl)pyrrolidin-3-ol
SMILESCc1ccc(C2(O)CCN(C(O)c3cc4c5c(c(N)nc4cc3F)COC5)C2)cc1
InChIInChI=1S/C23H24FN3O3/c1-13-2-4-14(5-3-13)23(29)6-7-27(12-23)22(28)16-8-15-17-10-30-11-18(17)21(25)26-20(15)9-19(16)24/h2-5,8-9,22,28-29H,6-7,10-12H2,1H3,(H2,25,26)
InChIKeyVEJUPKKTDHUJAF-UHFFFAOYSA-N
XLogP2.88
TPSA91.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-hydroxymethyl]-3-(4-methylphenyl)pyrrolidin-3-ol?
The IUPAC name of 1-[(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-hydroxymethyl]-3-(4-methylphenyl)pyrrolidin-3-ol (CID 165081384) is 1-[(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-hydroxymethyl]-3-(4-methylphenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-hydroxymethyl]-3-(4-methylphenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-hydroxymethyl]-3-(4-methylphenyl)pyrrolidin-3-ol is Cc1ccc(C2(O)CCN(C(O)c3cc4c5c(c(N)nc4cc3F)COC5)C2)cc1.
What is the InChIKey of 1-[(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-hydroxymethyl]-3-(4-methylphenyl)pyrrolidin-3-ol?
The InChIKey is VEJUPKKTDHUJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-13-2-4-14(5-3-13)23(29)6-7-27(12-23)22(28)16-8-15-17-10-30-11-18(17)21(25)26-20(15)9-19(16)24/h2-5,8-9,22,28-29H,6-7,10-12H2,1H3,(H2,25,26).
What are the key properties of 1-[(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-hydroxymethyl]-3-(4-methylphenyl)pyrrolidin-3-ol?
1-[(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-hydroxymethyl]-3-(4-methylphenyl)pyrrolidin-3-ol has a molecular weight of 409.46 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-hydroxymethyl]-3-(4-methylphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 165081384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).