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

C29H26F4N4O5 — CID 122502831

IUPACN-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-(2-hydroxyethoxy)quinoline-6-carboxamide
SMILESCC1(N)COc2c1cc(C(O)(CNC(=O)c1cc(OCCO)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C29H26F4N4O5/c1-27(34)15-42-25-20(27)13-22(37-24(25)16-4-6-19(30)7-5-16)28(40,29(31,32)33)14-36-26(39)18-11-17-3-2-8-35-23(17)21(12-18)41-10-9-38/h2-8,11-13,38,40H,9-10,14-15,34H2,1H3,(H,36,39)
InChIKeyXQRSRCVMDVVGFM-UHFFFAOYSA-N
MW586.54 g/mol
LogP3.55
Rot. Bonds8

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-(2-hydroxyethoxy)quinoline-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-(2-hydroxyethoxy)quinoline-6-carboxamide (PubChem CID 122502831) has the molecular formula C29H26F4N4O5 and a molecular weight of 586.54 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-(2-hydroxyethoxy)quinoline-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-(2-hydroxyethoxy)quinoline-6-carboxamide
PubChem CID122502831
Molecular FormulaC29H26F4N4O5
Molecular Weight586.54 g/mol
Exact Mass586.18
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-(2-hydroxyethoxy)quinoline-6-carboxamide
SMILESCC1(N)COc2c1cc(C(O)(CNC(=O)c1cc(OCCO)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C29H26F4N4O5/c1-27(34)15-42-25-20(27)13-22(37-24(25)16-4-6-19(30)7-5-16)28(40,29(31,32)33)14-36-26(39)18-11-17-3-2-8-35-23(17)21(12-18)41-10-9-38/h2-8,11-13,38,40H,9-10,14-15,34H2,1H3,(H,36,39)
InChIKeyXQRSRCVMDVVGFM-UHFFFAOYSA-N
XLogP3.55
TPSA139.82 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.54
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-(2-hydroxyethoxy)quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 156896076
CID 156896076
CID 86766067
CID 86766067
CID 155213915
CID 155213915
CID 155214149
CID 155214149
CID 156809842
CID 156809842
CID 156809888
CID 156809888
CID 156809935
CID 156809935
CID 156809951
CID 156809951
CID 156809961
CID 156809961
CID 156809965
CID 156809965
CID 163633832
CID 163633832
CID 165436685
CID 165436685

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-(2-hydroxyethoxy)quinoline-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-(2-hydroxyethoxy)quinoline-6-carboxamide (CID 122502831) 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-(2-hydroxyethoxy)quinoline-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-(2-hydroxyethoxy)quinoline-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-(2-hydroxyethoxy)quinoline-6-carboxamide is CC1(N)COc2c1cc(C(O)(CNC(=O)c1cc(OCCO)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1.
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-(2-hydroxyethoxy)quinoline-6-carboxamide?
The InChIKey is XQRSRCVMDVVGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F4N4O5/c1-27(34)15-42-25-20(27)13-22(37-24(25)16-4-6-19(30)7-5-16)28(40,29(31,32)33)14-36-26(39)18-11-17-3-2-8-35-23(17)21(12-18)41-10-9-38/h2-8,11-13,38,40H,9-10,14-15,34H2,1H3,(H,36,39).
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-(2-hydroxyethoxy)quinoline-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-(2-hydroxyethoxy)quinoline-6-carboxamide has a molecular weight of 586.54 g/mol, XLogP of 3.55, 8 rotatable bonds, 4 hydrogen bond donors, and 8 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-(2-hydroxyethoxy)quinoline-6-carboxamide is sourced from PubChem (CID 122502831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).