(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[5-(trifluoromethoxy)-2-pyridinyl]morpholin-4-yl]methanone

C23H20ClF3N4O4 — CID 164798483

IUPAC(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[5-(trifluoromethoxy)-2-pyridinyl]morpholin-4-yl]methanone
SMILESC[C@H]1COC[C@@H](c2ccc(OC(F)(F)F)cn2)N1C(=O)c1cc2c3c(c(N)nc2cc1Cl)COC3
InChIInChI=1S/C23H20ClF3N4O4/c1-11-7-33-10-20(18-3-2-12(6-29-18)35-23(25,26)27)31(11)22(32)14-4-13-15-8-34-9-16(15)21(28)30-19(13)5-17(14)24/h2-6,11,20H,7-10H2,1H3,(H2,28,30)/t11-,20-/m0/s1
InChIKeyGPRNSNUEYQONGL-YBTHPKLGSA-N
MW508.88 g/mol
LogP4.40
Rot. Bonds3

About (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[5-(trifluoromethoxy)-2-pyridinyl]morpholin-4-yl]methanone

(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[5-(trifluoromethoxy)-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 164798483) has the molecular formula C23H20ClF3N4O4 and a molecular weight of 508.88 g/mol. Its IUPAC name is (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[5-(trifluoromethoxy)-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[5-(trifluoromethoxy)-2-pyridinyl]morpholin-4-yl]methanone
PubChem CID164798483
Molecular FormulaC23H20ClF3N4O4
Molecular Weight508.88 g/mol
Exact Mass508.11
IUPAC Name(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[5-(trifluoromethoxy)-2-pyridinyl]morpholin-4-yl]methanone
SMILESC[C@H]1COC[C@@H](c2ccc(OC(F)(F)F)cn2)N1C(=O)c1cc2c3c(c(N)nc2cc1Cl)COC3
InChIInChI=1S/C23H20ClF3N4O4/c1-11-7-33-10-20(18-3-2-12(6-29-18)35-23(25,26)27)31(11)22(32)14-4-13-15-8-34-9-16(15)21(28)30-19(13)5-17(14)24/h2-6,11,20H,7-10H2,1H3,(H2,28,30)/t11-,20-/m0/s1
InChIKeyGPRNSNUEYQONGL-YBTHPKLGSA-N
XLogP4.40
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.88
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[5-(trifluoromethoxy)-2-pyridinyl]morpholin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[5-(trifluoromethoxy)-2-pyridinyl]morpholin-4-yl]methanone?
The IUPAC name of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[5-(trifluoromethoxy)-2-pyridinyl]morpholin-4-yl]methanone (CID 164798483) is (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[5-(trifluoromethoxy)-2-pyridinyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[5-(trifluoromethoxy)-2-pyridinyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[5-(trifluoromethoxy)-2-pyridinyl]morpholin-4-yl]methanone is C[C@H]1COC[C@@H](c2ccc(OC(F)(F)F)cn2)N1C(=O)c1cc2c3c(c(N)nc2cc1Cl)COC3.
What is the InChIKey of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[5-(trifluoromethoxy)-2-pyridinyl]morpholin-4-yl]methanone?
The InChIKey is GPRNSNUEYQONGL-YBTHPKLGSA-N. The full InChI is InChI=1S/C23H20ClF3N4O4/c1-11-7-33-10-20(18-3-2-12(6-29-18)35-23(25,26)27)31(11)22(32)14-4-13-15-8-34-9-16(15)21(28)30-19(13)5-17(14)24/h2-6,11,20H,7-10H2,1H3,(H2,28,30)/t11-,20-/m0/s1.
What are the key properties of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[5-(trifluoromethoxy)-2-pyridinyl]morpholin-4-yl]methanone?
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[5-(trifluoromethoxy)-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 508.88 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[5-(trifluoromethoxy)-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164798483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).