(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanol

C23H23F2N3O3 — CID 165018369

IUPAC(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanol
SMILESCc1cc(C2COCCN2C(O)c2cc3c4c(c(N)nc3cc2F)COC4)ccc1F
InChIInChI=1S/C23H23F2N3O3/c1-12-6-13(2-3-18(12)24)21-11-30-5-4-28(21)23(29)15-7-14-16-9-31-10-17(16)22(26)27-20(14)8-19(15)25/h2-3,6-8,21,23,29H,4-5,9-11H2,1H3,(H2,26,27)
InChIKeyKTWAMXVUTCDMOA-UHFFFAOYSA-N
MW427.45 g/mol
LogP3.50
Rot. Bonds3

About (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanol

(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanol (PubChem CID 165018369) has the molecular formula C23H23F2N3O3 and a molecular weight of 427.45 g/mol. Its IUPAC name is (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanol.

Molecular Properties

Compound Name(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanol
PubChem CID165018369
Molecular FormulaC23H23F2N3O3
Molecular Weight427.45 g/mol
Exact Mass427.17
IUPAC Name(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanol
SMILESCc1cc(C2COCCN2C(O)c2cc3c4c(c(N)nc3cc2F)COC4)ccc1F
InChIInChI=1S/C23H23F2N3O3/c1-12-6-13(2-3-18(12)24)21-11-30-5-4-28(21)23(29)15-7-14-16-9-31-10-17(16)22(26)27-20(14)8-19(15)25/h2-3,6-8,21,23,29H,4-5,9-11H2,1H3,(H2,26,27)
InChIKeyKTWAMXVUTCDMOA-UHFFFAOYSA-N
XLogP3.50
TPSA80.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanol?
The IUPAC name of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanol (CID 165018369) is (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanol.
What is the SMILES notation for (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanol?
The canonical SMILES for (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanol is Cc1cc(C2COCCN2C(O)c2cc3c4c(c(N)nc3cc2F)COC4)ccc1F.
What is the InChIKey of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanol?
The InChIKey is KTWAMXVUTCDMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3/c1-12-6-13(2-3-18(12)24)21-11-30-5-4-28(21)23(29)15-7-14-16-9-31-10-17(16)22(26)27-20(14)8-19(15)25/h2-3,6-8,21,23,29H,4-5,9-11H2,1H3,(H2,26,27).
What are the key properties of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanol?
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanol has a molecular weight of 427.45 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanol is sourced from PubChem (CID 165018369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).