[(3S)-oxolan-3-yl] N-[[(3S)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate

C25H27FN4O4 — CID 143245136

IUPAC[(3S)-oxolan-3-yl] N-[[(3S)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate
SMILESCc1ccc2c(N3CC[C@@H](CNC(=O)O[C@H]4CCOC4)C3)nc(-c3c(O)cccc3F)nc2c1
InChIInChI=1S/C25H27FN4O4/c1-15-5-6-18-20(11-15)28-23(22-19(26)3-2-4-21(22)31)29-24(18)30-9-7-16(13-30)12-27-25(32)34-17-8-10-33-14-17/h2-6,11,16-17,31H,7-10,12-14H2,1H3,(H,27,32)/t16-,17-/m0/s1
InChIKeyOUOVGLIEBSBYOI-IRXDYDNUSA-N
MW466.51 g/mol
LogP3.79
Rot. Bonds5

About [(3S)-oxolan-3-yl] N-[[(3S)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate

[(3S)-oxolan-3-yl] N-[[(3S)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate (PubChem CID 143245136) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl] N-[[(3S)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl] N-[[(3S)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate
PubChem CID143245136
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC Name[(3S)-oxolan-3-yl] N-[[(3S)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate
SMILESCc1ccc2c(N3CC[C@@H](CNC(=O)O[C@H]4CCOC4)C3)nc(-c3c(O)cccc3F)nc2c1
InChIInChI=1S/C25H27FN4O4/c1-15-5-6-18-20(11-15)28-23(22-19(26)3-2-4-21(22)31)29-24(18)30-9-7-16(13-30)12-27-25(32)34-17-8-10-33-14-17/h2-6,11,16-17,31H,7-10,12-14H2,1H3,(H,27,32)/t16-,17-/m0/s1
InChIKeyOUOVGLIEBSBYOI-IRXDYDNUSA-N
XLogP3.79
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl] N-[[(3S)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate?
The IUPAC name of [(3S)-oxolan-3-yl] N-[[(3S)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate (CID 143245136) is [(3S)-oxolan-3-yl] N-[[(3S)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate.
What is the SMILES notation for [(3S)-oxolan-3-yl] N-[[(3S)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate?
The canonical SMILES for [(3S)-oxolan-3-yl] N-[[(3S)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate is Cc1ccc2c(N3CC[C@@H](CNC(=O)O[C@H]4CCOC4)C3)nc(-c3c(O)cccc3F)nc2c1.
What is the InChIKey of [(3S)-oxolan-3-yl] N-[[(3S)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate?
The InChIKey is OUOVGLIEBSBYOI-IRXDYDNUSA-N. The full InChI is InChI=1S/C25H27FN4O4/c1-15-5-6-18-20(11-15)28-23(22-19(26)3-2-4-21(22)31)29-24(18)30-9-7-16(13-30)12-27-25(32)34-17-8-10-33-14-17/h2-6,11,16-17,31H,7-10,12-14H2,1H3,(H,27,32)/t16-,17-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl] N-[[(3S)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate?
[(3S)-oxolan-3-yl] N-[[(3S)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate has a molecular weight of 466.51 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl] N-[[(3S)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate is sourced from PubChem (CID 143245136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).