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

C25H26FN3O2 — CID 164798664

IUPAC(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(4S)-3,3-dimethyl-4-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@@H]2CN(C(=O)c3cc4c5c(c(N)nc4cc3F)COC5)CC2(C)C)cc1
InChIInChI=1S/C25H26FN3O2/c1-14-4-6-15(7-5-14)20-10-29(13-25(20,2)3)24(30)17-8-16-18-11-31-12-19(18)23(27)28-22(16)9-21(17)26/h4-9,20H,10-13H2,1-3H3,(H2,27,28)/t20-/m0/s1
InChIKeyFJRBXLTYKFYQLC-FQEVSTJZSA-N
MW419.50 g/mol
LogP4.56
Rot. Bonds2

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

(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(4S)-3,3-dimethyl-4-(4-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 164798664) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(4S)-3,3-dimethyl-4-(4-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(4S)-3,3-dimethyl-4-(4-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID164798664
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(4S)-3,3-dimethyl-4-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@@H]2CN(C(=O)c3cc4c5c(c(N)nc4cc3F)COC5)CC2(C)C)cc1
InChIInChI=1S/C25H26FN3O2/c1-14-4-6-15(7-5-14)20-10-29(13-25(20,2)3)24(30)17-8-16-18-11-31-12-19(18)23(27)28-22(16)9-21(17)26/h4-9,20H,10-13H2,1-3H3,(H2,27,28)/t20-/m0/s1
InChIKeyFJRBXLTYKFYQLC-FQEVSTJZSA-N
XLogP4.56
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.56
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)-[(4S)-3,3-dimethyl-4-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(4S)-3,3-dimethyl-4-(4-methylphenyl)pyrrolidin-1-yl]methanone (CID 164798664) is (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(4S)-3,3-dimethyl-4-(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)-[(4S)-3,3-dimethyl-4-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(4S)-3,3-dimethyl-4-(4-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccc([C@@H]2CN(C(=O)c3cc4c5c(c(N)nc4cc3F)COC5)CC2(C)C)cc1.
What is the InChIKey of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(4S)-3,3-dimethyl-4-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is FJRBXLTYKFYQLC-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-14-4-6-15(7-5-14)20-10-29(13-25(20,2)3)24(30)17-8-16-18-11-31-12-19(18)23(27)28-22(16)9-21(17)26/h4-9,20H,10-13H2,1-3H3,(H2,27,28)/t20-/m0/s1.
What are the key properties of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(4S)-3,3-dimethyl-4-(4-methylphenyl)pyrrolidin-1-yl]methanone?
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(4S)-3,3-dimethyl-4-(4-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 419.50 g/mol, XLogP of 4.56, 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)-[(4S)-3,3-dimethyl-4-(4-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164798664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).