N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxamide

C28H28F4N4O4 — CID 122502783

IUPACN-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)N)C(F)(F)F)cc2c1NCCC2
InChIInChI=1S/C28H28F4N4O4/c1-26(33)14-40-24-19(26)12-21(36-23(24)15-5-7-18(29)8-6-15)27(38,28(30,31)32)13-35-25(37)17-10-16-4-3-9-34-22(16)20(11-17)39-2/h5-8,10-12,34,38H,3-4,9,13-14,33H2,1-2H3,(H,35,37)
InChIKeyQQIWIWVOINWXDW-UHFFFAOYSA-N
MW560.55 g/mol
LogP4.00
Rot. Bonds6

About N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 122502783) has the molecular formula C28H28F4N4O4 and a molecular weight of 560.55 g/mol. Its IUPAC name is N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID122502783
Molecular FormulaC28H28F4N4O4
Molecular Weight560.55 g/mol
Exact Mass560.20
IUPAC NameN-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)N)C(F)(F)F)cc2c1NCCC2
InChIInChI=1S/C28H28F4N4O4/c1-26(33)14-40-24-19(26)12-21(36-23(24)15-5-7-18(29)8-6-15)27(38,28(30,31)32)13-35-25(37)17-10-16-4-3-9-34-22(16)20(11-17)39-2/h5-8,10-12,34,38H,3-4,9,13-14,33H2,1-2H3,(H,35,37)
InChIKeyQQIWIWVOINWXDW-UHFFFAOYSA-N
XLogP4.00
TPSA118.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.55
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 122502783) is N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxamide is COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)N)C(F)(F)F)cc2c1NCCC2.
What is the InChIKey of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is QQIWIWVOINWXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F4N4O4/c1-26(33)14-40-24-19(26)12-21(36-23(24)15-5-7-18(29)8-6-15)27(38,28(30,31)32)13-35-25(37)17-10-16-4-3-9-34-22(16)20(11-17)39-2/h5-8,10-12,34,38H,3-4,9,13-14,33H2,1-2H3,(H,35,37).
What are the key properties of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 560.55 g/mol, XLogP of 4.00, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 122502783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).