2-(hydroxymethyl)-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

C29H25F5N4O5 — CID 156872710

IUPAC2-(hydroxymethyl)-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
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)CF)C(F)(F)F)cc2cnc(CO)nc12
InChIInChI=1S/C29H25F5N4O5/c1-27(12-30)14-43-25-19(27)9-21(37-24(25)15-3-5-18(31)6-4-15)28(41,29(32,33)34)13-36-26(40)16-7-17-10-35-22(11-39)38-23(17)20(8-16)42-2/h3-10,39,41H,11-14H2,1-2H3,(H,36,40)/t27-,28-/m0/s1
InChIKeyVUALZKFZYGNWLO-NSOVKSMOSA-N
MW604.53 g/mol
LogP4.13
Rot. Bonds8

About 2-(hydroxymethyl)-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

2-(hydroxymethyl)-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 156872710) has the molecular formula C29H25F5N4O5 and a molecular weight of 604.53 g/mol. Its IUPAC name is 2-(hydroxymethyl)-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 Name2-(hydroxymethyl)-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 CID156872710
Molecular FormulaC29H25F5N4O5
Molecular Weight604.53 g/mol
Exact Mass604.17
IUPAC Name2-(hydroxymethyl)-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
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)CF)C(F)(F)F)cc2cnc(CO)nc12
InChIInChI=1S/C29H25F5N4O5/c1-27(12-30)14-43-25-19(27)9-21(37-24(25)15-3-5-18(31)6-4-15)28(41,29(32,33)34)13-36-26(40)16-7-17-10-35-22(11-39)38-23(17)20(8-16)42-2/h3-10,39,41H,11-14H2,1-2H3,(H,36,40)/t27-,28-/m0/s1
InChIKeyVUALZKFZYGNWLO-NSOVKSMOSA-N
XLogP4.13
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.53
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(hydroxymethyl)-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 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 59e
CID 165436721
8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxypropyl]quinoline-6-carboxamide
CID 168823525

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-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 2-(hydroxymethyl)-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 156872710) is 2-(hydroxymethyl)-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 2-(hydroxymethyl)-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 2-(hydroxymethyl)-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)cc2cnc(CO)nc12.
What is the InChIKey of 2-(hydroxymethyl)-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 VUALZKFZYGNWLO-NSOVKSMOSA-N. The full InChI is InChI=1S/C29H25F5N4O5/c1-27(12-30)14-43-25-19(27)9-21(37-24(25)15-3-5-18(31)6-4-15)28(41,29(32,33)34)13-36-26(40)16-7-17-10-35-22(11-39)38-23(17)20(8-16)42-2/h3-10,39,41H,11-14H2,1-2H3,(H,36,40)/t27-,28-/m0/s1.
What are the key properties of 2-(hydroxymethyl)-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?
2-(hydroxymethyl)-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 604.53 g/mol, XLogP of 4.13, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-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 156872710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).