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

C23H25FN4O3 — CID 135771845

IUPAC2-methylpropyl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate
SMILESCC(C)COC(=O)N[C@@H]1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)C1
InChIInChI=1S/C23H25FN4O3/c1-14(2)13-31-23(30)25-16-9-10-28(12-16)22-18-11-15(24)7-8-19(18)26-21(27-22)17-5-3-4-6-20(17)29/h3-8,11,14,16,29H,9-10,12-13H2,1-2H3,(H,25,30)/t16-/m1/s1
InChIKeyUSUHGMSUEYVSLH-MRXNPFEDSA-N
MW424.48 g/mol
LogP4.10
Rot. Bonds5

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

2-methylpropyl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate (PubChem CID 135771845) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-methylpropyl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate
PubChem CID135771845
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name2-methylpropyl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate
SMILESCC(C)COC(=O)N[C@@H]1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)C1
InChIInChI=1S/C23H25FN4O3/c1-14(2)13-31-23(30)25-16-9-10-28(12-16)22-18-11-15(24)7-8-19(18)26-21(27-22)17-5-3-4-6-20(17)29/h3-8,11,14,16,29H,9-10,12-13H2,1-2H3,(H,25,30)/t16-/m1/s1
InChIKeyUSUHGMSUEYVSLH-MRXNPFEDSA-N
XLogP4.10
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methylpropyl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate (CID 135771845) is 2-methylpropyl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate is CC(C)COC(=O)N[C@@H]1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)C1.
What is the InChIKey of 2-methylpropyl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate?
The InChIKey is USUHGMSUEYVSLH-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-14(2)13-31-23(30)25-16-9-10-28(12-16)22-18-11-15(24)7-8-19(18)26-21(27-22)17-5-3-4-6-20(17)29/h3-8,11,14,16,29H,9-10,12-13H2,1-2H3,(H,25,30)/t16-/m1/s1.
What are the key properties of 2-methylpropyl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate?
2-methylpropyl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 424.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 135771845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).