2-methylpropyl N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate

C24H27FN4O3 — CID 135771834

IUPAC2-methylpropyl N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate
SMILESCc1ccc2c(N3CC[C@@H](NC(=O)OCC(C)C)C3)nc(-c3c(O)cccc3F)nc2c1
InChIInChI=1S/C24H27FN4O3/c1-14(2)13-32-24(31)26-16-9-10-29(12-16)23-17-8-7-15(3)11-19(17)27-22(28-23)21-18(25)5-4-6-20(21)30/h4-8,11,14,16,30H,9-10,12-13H2,1-3H3,(H,26,31)/t16-/m1/s1
InChIKeyFFNUFIHYIDNARC-MRXNPFEDSA-N
MW438.50 g/mol
LogP4.41
Rot. Bonds5

About 2-methylpropyl N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate

2-methylpropyl N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate (PubChem CID 135771834) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-methylpropyl N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate
PubChem CID135771834
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name2-methylpropyl N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate
SMILESCc1ccc2c(N3CC[C@@H](NC(=O)OCC(C)C)C3)nc(-c3c(O)cccc3F)nc2c1
InChIInChI=1S/C24H27FN4O3/c1-14(2)13-32-24(31)26-16-9-10-29(12-16)23-17-8-7-15(3)11-19(17)27-22(28-23)21-18(25)5-4-6-20(21)30/h4-8,11,14,16,30H,9-10,12-13H2,1-3H3,(H,26,31)/t16-/m1/s1
InChIKeyFFNUFIHYIDNARC-MRXNPFEDSA-N
XLogP4.41
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate (CID 135771834) is 2-methylpropyl N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate is Cc1ccc2c(N3CC[C@@H](NC(=O)OCC(C)C)C3)nc(-c3c(O)cccc3F)nc2c1.
What is the InChIKey of 2-methylpropyl N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate?
The InChIKey is FFNUFIHYIDNARC-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-14(2)13-32-24(31)26-16-9-10-29(12-16)23-17-8-7-15(3)11-19(17)27-22(28-23)21-18(25)5-4-6-20(21)30/h4-8,11,14,16,30H,9-10,12-13H2,1-3H3,(H,26,31)/t16-/m1/s1.
What are the key properties of 2-methylpropyl N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate?
2-methylpropyl N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 438.50 g/mol, XLogP of 4.41, 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-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 135771834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).