4-amino-7-chloro-N-cyclopropyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C24H19ClF3N3O3 — CID 164866988

IUPAC4-amino-7-chloro-N-cyclopropyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESNc1nc2cc(Cl)c(C(=O)N(C3CC3)[C@H]3COc4cc(C(F)(F)F)ccc43)cc2c2c1COC2
InChIInChI=1S/C24H19ClF3N3O3/c25-18-7-19-14(16-8-33-9-17(16)22(29)30-19)6-15(18)23(32)31(12-2-3-12)20-10-34-21-5-11(24(26,27)28)1-4-13(20)21/h1,4-7,12,20H,2-3,8-10H2,(H2,29,30)/t20-/m0/s1
InChIKeyYGPRLAWTJJUAOM-FQEVSTJZSA-N
MW489.88 g/mol
LogP5.26
Rot. Bonds3

About 4-amino-7-chloro-N-cyclopropyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-7-chloro-N-cyclopropyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 164866988) has the molecular formula C24H19ClF3N3O3 and a molecular weight of 489.88 g/mol. Its IUPAC name is 4-amino-7-chloro-N-cyclopropyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-7-chloro-N-cyclopropyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID164866988
Molecular FormulaC24H19ClF3N3O3
Molecular Weight489.88 g/mol
Exact Mass489.11
IUPAC Name4-amino-7-chloro-N-cyclopropyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESNc1nc2cc(Cl)c(C(=O)N(C3CC3)[C@H]3COc4cc(C(F)(F)F)ccc43)cc2c2c1COC2
InChIInChI=1S/C24H19ClF3N3O3/c25-18-7-19-14(16-8-33-9-17(16)22(29)30-19)6-15(18)23(32)31(12-2-3-12)20-10-34-21-5-11(24(26,27)28)1-4-13(20)21/h1,4-7,12,20H,2-3,8-10H2,(H2,29,30)/t20-/m0/s1
InChIKeyYGPRLAWTJJUAOM-FQEVSTJZSA-N
XLogP5.26
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.88
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-7-fluoro-2,3-dihydrofuro[3,2-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164536927
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798348
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798370
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 164798371
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798402
(4-amino-3,3-dimethyl-1H-furo[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798427
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2R,5S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798430
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798433
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2S,5R)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798446
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3R)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798453
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798467
(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

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-chloro-N-cyclopropyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-7-chloro-N-cyclopropyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 164866988) is 4-amino-7-chloro-N-cyclopropyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-7-chloro-N-cyclopropyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-7-chloro-N-cyclopropyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is Nc1nc2cc(Cl)c(C(=O)N(C3CC3)[C@H]3COc4cc(C(F)(F)F)ccc43)cc2c2c1COC2.
What is the InChIKey of 4-amino-7-chloro-N-cyclopropyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is YGPRLAWTJJUAOM-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H19ClF3N3O3/c25-18-7-19-14(16-8-33-9-17(16)22(29)30-19)6-15(18)23(32)31(12-2-3-12)20-10-34-21-5-11(24(26,27)28)1-4-13(20)21/h1,4-7,12,20H,2-3,8-10H2,(H2,29,30)/t20-/m0/s1.
What are the key properties of 4-amino-7-chloro-N-cyclopropyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-7-chloro-N-cyclopropyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 489.88 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-chloro-N-cyclopropyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 164866988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).