tert-butyl N-(6-hydroxy-7-methoxyquinazolin-4-yl)-N-[(1R)-1-phenylethyl]carbamate

C22H25N3O4 — CID 10157525

IUPACtert-butyl N-(6-hydroxy-7-methoxyquinazolin-4-yl)-N-[(1R)-1-phenylethyl]carbamate
SMILESCOc1cc2ncnc(N(C(=O)OC(C)(C)C)[C@H](C)c3ccccc3)c2cc1O
InChIInChI=1S/C22H25N3O4/c1-14(15-9-7-6-8-10-15)25(21(27)29-22(2,3)4)20-16-11-18(26)19(28-5)12-17(16)23-13-24-20/h6-14,26H,1-5H3/t14-/m1/s1
InChIKeyHEMMGGHEWPAPBE-CQSZACIVSA-N
MW395.46 g/mol
LogP4.85
Rot. Bonds4

About tert-butyl N-(6-hydroxy-7-methoxyquinazolin-4-yl)-N-[(1R)-1-phenylethyl]carbamate

tert-butyl N-(6-hydroxy-7-methoxyquinazolin-4-yl)-N-[(1R)-1-phenylethyl]carbamate (PubChem CID 10157525) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is tert-butyl N-(6-hydroxy-7-methoxyquinazolin-4-yl)-N-[(1R)-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-hydroxy-7-methoxyquinazolin-4-yl)-N-[(1R)-1-phenylethyl]carbamate
PubChem CID10157525
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Nametert-butyl N-(6-hydroxy-7-methoxyquinazolin-4-yl)-N-[(1R)-1-phenylethyl]carbamate
SMILESCOc1cc2ncnc(N(C(=O)OC(C)(C)C)[C@H](C)c3ccccc3)c2cc1O
InChIInChI=1S/C22H25N3O4/c1-14(15-9-7-6-8-10-15)25(21(27)29-22(2,3)4)20-16-11-18(26)19(28-5)12-17(16)23-13-24-20/h6-14,26H,1-5H3/t14-/m1/s1
InChIKeyHEMMGGHEWPAPBE-CQSZACIVSA-N
XLogP4.85
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-hydroxy-7-methoxyquinazolin-4-yl)-N-[(1R)-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-(6-hydroxy-7-methoxyquinazolin-4-yl)-N-[(1R)-1-phenylethyl]carbamate (CID 10157525) is tert-butyl N-(6-hydroxy-7-methoxyquinazolin-4-yl)-N-[(1R)-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-(6-hydroxy-7-methoxyquinazolin-4-yl)-N-[(1R)-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-(6-hydroxy-7-methoxyquinazolin-4-yl)-N-[(1R)-1-phenylethyl]carbamate is COc1cc2ncnc(N(C(=O)OC(C)(C)C)[C@H](C)c3ccccc3)c2cc1O.
What is the InChIKey of tert-butyl N-(6-hydroxy-7-methoxyquinazolin-4-yl)-N-[(1R)-1-phenylethyl]carbamate?
The InChIKey is HEMMGGHEWPAPBE-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14(15-9-7-6-8-10-15)25(21(27)29-22(2,3)4)20-16-11-18(26)19(28-5)12-17(16)23-13-24-20/h6-14,26H,1-5H3/t14-/m1/s1.
What are the key properties of tert-butyl N-(6-hydroxy-7-methoxyquinazolin-4-yl)-N-[(1R)-1-phenylethyl]carbamate?
tert-butyl N-(6-hydroxy-7-methoxyquinazolin-4-yl)-N-[(1R)-1-phenylethyl]carbamate has a molecular weight of 395.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-hydroxy-7-methoxyquinazolin-4-yl)-N-[(1R)-1-phenylethyl]carbamate is sourced from PubChem (CID 10157525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).