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

C22H18ClF3N4O3 — CID 164798509

IUPAC(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone
SMILESNc1nc2cc(Cl)c(C(=O)N3CCOC[C@@H]3c3ccc(C(F)(F)F)cn3)cc2c2c1COC2
InChIInChI=1S/C22H18ClF3N4O3/c23-16-6-18-12(14-8-33-9-15(14)20(27)29-18)5-13(16)21(31)30-3-4-32-10-19(30)17-2-1-11(7-28-17)22(24,25)26/h1-2,5-7,19H,3-4,8-10H2,(H2,27,29)/t19-/m1/s1
InChIKeyBIISFRSABJRRCF-LJQANCHMSA-N
MW478.86 g/mol
LogP4.13
Rot. Bonds2

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

(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 164798509) has the molecular formula C22H18ClF3N4O3 and a molecular weight of 478.86 g/mol. Its IUPAC name is (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone
PubChem CID164798509
Molecular FormulaC22H18ClF3N4O3
Molecular Weight478.86 g/mol
Exact Mass478.10
IUPAC Name(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone
SMILESNc1nc2cc(Cl)c(C(=O)N3CCOC[C@@H]3c3ccc(C(F)(F)F)cn3)cc2c2c1COC2
InChIInChI=1S/C22H18ClF3N4O3/c23-16-6-18-12(14-8-33-9-15(14)20(27)29-18)5-13(16)21(31)30-3-4-32-10-19(30)17-2-1-11(7-28-17)22(24,25)26/h1-2,5-7,19H,3-4,8-10H2,(H2,27,29)/t19-/m1/s1
InChIKeyBIISFRSABJRRCF-LJQANCHMSA-N
XLogP4.13
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.86
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164798528
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone
CID 164798401
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(5-bromo-2-pyridinyl)morpholin-4-yl]methanone
CID 164798767
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 167121916
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R)-3-[5-(trifluoromethyl)pyrazin-2-yl]morpholin-4-yl]methanone
CID 164798620
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone
CID 164798502
6-[(3S)-4-(4-amino-1,3-dihydrofuro[3,4-c]quinoline-8-carbonyl)morpholin-3-yl]pyridine-3-carbonitrile
CID 164798713
(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-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164798798
4-amino-7-chloro-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383659
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
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone
CID 164798691

Frequently Asked Questions

What is the IUPAC name of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone?
The IUPAC name of (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) is (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[5-(trifluoromethyl)-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)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone is Nc1nc2cc(Cl)c(C(=O)N3CCOC[C@@H]3c3ccc(C(F)(F)F)cn3)cc2c2c1COC2.
What is the InChIKey of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone?
The InChIKey is BIISFRSABJRRCF-LJQANCHMSA-N. The full InChI is InChI=1S/C22H18ClF3N4O3/c23-16-6-18-12(14-8-33-9-15(14)20(27)29-18)5-13(16)21(31)30-3-4-32-10-19(30)17-2-1-11(7-28-17)22(24,25)26/h1-2,5-7,19H,3-4,8-10H2,(H2,27,29)/t19-/m1/s1.
What are the key properties of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone?
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 478.86 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 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)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164798509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).