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

C23H22FN3O2 — CID 164992014

IUPAC(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@H]2CCN(C(=O)c3cc4c5c(c(N)nc4cc3F)COC5)C2)cc1
InChIInChI=1S/C23H22FN3O2/c1-13-2-4-14(5-3-13)15-6-7-27(10-15)23(28)17-8-16-18-11-29-12-19(18)22(25)26-21(16)9-20(17)24/h2-5,8-9,15H,6-7,10-12H2,1H3,(H2,25,26)/t15-/m0/s1
InChIKeyGZKTUFYPOVEXBT-HNNXBMFYSA-N
MW391.45 g/mol
LogP3.92
Rot. Bonds2

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

(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 164992014) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID164992014
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@H]2CCN(C(=O)c3cc4c5c(c(N)nc4cc3F)COC5)C2)cc1
InChIInChI=1S/C23H22FN3O2/c1-13-2-4-14(5-3-13)15-6-7-27(10-15)23(28)17-8-16-18-11-29-12-19(18)22(25)26-21(16)9-20(17)24/h2-5,8-9,15H,6-7,10-12H2,1H3,(H2,25,26)/t15-/m0/s1
InChIKeyGZKTUFYPOVEXBT-HNNXBMFYSA-N
XLogP3.92
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone (CID 164992014) is (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccc([C@H]2CCN(C(=O)c3cc4c5c(c(N)nc4cc3F)COC5)C2)cc1.
What is the InChIKey of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is GZKTUFYPOVEXBT-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-13-2-4-14(5-3-13)15-6-7-27(10-15)23(28)17-8-16-18-11-29-12-19(18)22(25)26-21(16)9-20(17)24/h2-5,8-9,15H,6-7,10-12H2,1H3,(H2,25,26)/t15-/m0/s1.
What are the key properties of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone?
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 391.45 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164992014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).