(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone

C22H18F4N4O2 — CID 167121916

IUPAC(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESNc1nc2cc(F)c(C(=O)N3CCC(c4ccc(C(F)(F)F)cn4)C3)cc2c2c1COC2
InChIInChI=1S/C22H18F4N4O2/c23-17-6-19-13(15-9-32-10-16(15)20(27)29-19)5-14(17)21(31)30-4-3-11(8-30)18-2-1-12(7-28-18)22(24,25)26/h1-2,5-7,11H,3-4,8-10H2,(H2,27,29)
InChIKeyLIHQWXPIFYYQQK-UHFFFAOYSA-N
MW446.40 g/mol
LogP4.03
Rot. Bonds2

About (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone

(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 167121916) has the molecular formula C22H18F4N4O2 and a molecular weight of 446.40 g/mol. Its IUPAC name is (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID167121916
Molecular FormulaC22H18F4N4O2
Molecular Weight446.40 g/mol
Exact Mass446.14
IUPAC Name(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESNc1nc2cc(F)c(C(=O)N3CCC(c4ccc(C(F)(F)F)cn4)C3)cc2c2c1COC2
InChIInChI=1S/C22H18F4N4O2/c23-17-6-19-13(15-9-32-10-16(15)20(27)29-19)5-14(17)21(31)30-4-3-11(8-30)18-2-1-12(7-28-18)22(24,25)26/h1-2,5-7,11H,3-4,8-10H2,(H2,27,29)
InChIKeyLIHQWXPIFYYQQK-UHFFFAOYSA-N
XLogP4.03
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 164992014
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(4R)-3,3-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 164798821
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone
CID 164798502
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone
CID 164798509
4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 167085267
4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 169102330
4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid
CID 163383514
(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
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone
CID 164798672
4-amino-N-cyclopropyl-7-fluoro-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867438
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone
CID 164798578
4-amino-7-chloro-N-propan-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 175487771

Frequently Asked Questions

What is the IUPAC name of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 167121916) is (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone is Nc1nc2cc(F)c(C(=O)N3CCC(c4ccc(C(F)(F)F)cn4)C3)cc2c2c1COC2.
What is the InChIKey of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is LIHQWXPIFYYQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N4O2/c23-17-6-19-13(15-9-32-10-16(15)20(27)29-19)5-14(17)21(31)30-4-3-11(8-30)18-2-1-12(7-28-18)22(24,25)26/h1-2,5-7,11H,3-4,8-10H2,(H2,27,29).
What are the key properties of (4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 446.40 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 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-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 167121916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).