8-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide

C28H23F5N4O4 — CID 156872417

IUPAC8-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)CF)C(F)(F)F)cc2cncnc12
InChIInChI=1S/C28H23F5N4O4/c1-26(11-29)13-41-24-19(26)9-21(37-23(24)15-3-5-18(30)6-4-15)27(39,28(31,32)33)12-35-25(38)16-7-17-10-34-14-36-22(17)20(8-16)40-2/h3-10,14,39H,11-13H2,1-2H3,(H,35,38)/t26-,27-/m0/s1
InChIKeyUBQWAKGOGXWHPO-SVBPBHIXSA-N
MW574.51 g/mol
LogP4.64
Rot. Bonds7

About 8-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide

8-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide (PubChem CID 156872417) has the molecular formula C28H23F5N4O4 and a molecular weight of 574.51 g/mol. Its IUPAC name is 8-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide
PubChem CID156872417
Molecular FormulaC28H23F5N4O4
Molecular Weight574.51 g/mol
Exact Mass574.16
IUPAC Name8-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)CF)C(F)(F)F)cc2cncnc12
InChIInChI=1S/C28H23F5N4O4/c1-26(11-29)13-41-24-19(26)9-21(37-23(24)15-3-5-18(30)6-4-15)27(39,28(31,32)33)12-35-25(38)16-7-17-10-34-14-36-22(17)20(8-16)40-2/h3-10,14,39H,11-13H2,1-2H3,(H,35,38)/t26-,27-/m0/s1
InChIKeyUBQWAKGOGXWHPO-SVBPBHIXSA-N
XLogP4.64
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.51
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-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

N-(2-methoxyethyl)-4-[[6-(3-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzamide
CID 71584401
4-[[4-(1H-indol-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 58525372
7-{[8-(4-Fluoro-2-methoxyphenyl)quinazolin-2-yl]amino}-N-(piperidin-4-yl)-2,3-dihydro-1-benzofuran-4-carboxamide
CID 122648840
US11420976, Example 30
CID 156809842
US11420976, Example 16
CID 156809888
US11420976, Example 11
CID 156809935
US11420976, Example 6
CID 156809951
US11420976, Example 5
CID 156809961
US11420976, Example 10
CID 163633832
US11420976, Example 17
CID 165436685
US11420976, Example 50
CID 165436711
US11420976, Example 55
CID 165436713

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide?
The IUPAC name of 8-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide (CID 156872417) is 8-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide.
What is the SMILES notation for 8-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide?
The canonical SMILES for 8-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide is COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)CF)C(F)(F)F)cc2cncnc12.
What is the InChIKey of 8-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide?
The InChIKey is UBQWAKGOGXWHPO-SVBPBHIXSA-N. The full InChI is InChI=1S/C28H23F5N4O4/c1-26(11-29)13-41-24-19(26)9-21(37-23(24)15-3-5-18(30)6-4-15)27(39,28(31,32)33)12-35-25(38)16-7-17-10-34-14-36-22(17)20(8-16)40-2/h3-10,14,39H,11-13H2,1-2H3,(H,35,38)/t26-,27-/m0/s1.
What are the key properties of 8-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide?
8-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide has a molecular weight of 574.51 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[(2S)-3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide is sourced from PubChem (CID 156872417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).