propan-2-yl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate

C22H23FN4O3 — CID 135771846

IUPACpropan-2-yl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate
SMILESCC(C)OC(=O)N[C@@H]1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)C1
InChIInChI=1S/C22H23FN4O3/c1-13(2)30-22(29)24-15-9-10-27(12-15)21-17-11-14(23)7-8-18(17)25-20(26-21)16-5-3-4-6-19(16)28/h3-8,11,13,15,28H,9-10,12H2,1-2H3,(H,24,29)/t15-/m1/s1
InChIKeyOLGHREQRWMRKOL-OAHLLOKOSA-N
MW410.45 g/mol
LogP3.85
Rot. Bonds4

About propan-2-yl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate

propan-2-yl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate (PubChem CID 135771846) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is propan-2-yl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate
PubChem CID135771846
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Namepropan-2-yl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate
SMILESCC(C)OC(=O)N[C@@H]1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)C1
InChIInChI=1S/C22H23FN4O3/c1-13(2)30-22(29)24-15-9-10-27(12-15)21-17-11-14(23)7-8-18(17)25-20(26-21)16-5-3-4-6-19(16)28/h3-8,11,13,15,28H,9-10,12H2,1-2H3,(H,24,29)/t15-/m1/s1
InChIKeyOLGHREQRWMRKOL-OAHLLOKOSA-N
XLogP3.85
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate?
The IUPAC name of propan-2-yl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate (CID 135771846) is propan-2-yl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate is CC(C)OC(=O)N[C@@H]1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)C1.
What is the InChIKey of propan-2-yl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate?
The InChIKey is OLGHREQRWMRKOL-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-13(2)30-22(29)24-15-9-10-27(12-15)21-17-11-14(23)7-8-18(17)25-20(26-21)16-5-3-4-6-19(16)28/h3-8,11,13,15,28H,9-10,12H2,1-2H3,(H,24,29)/t15-/m1/s1.
What are the key properties of propan-2-yl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate?
propan-2-yl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 410.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 135771846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).