tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate

C16H21N3O3 — CID 165085489

IUPACtert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C16H21N3O3/c1-10(17-15(21)22-16(2,3)4)13-18-12-9-7-6-8-11(12)14(20)19(13)5/h6-10H,1-5H3,(H,17,21)/t10-/m0/s1
InChIKeyVVJHRWHCMLMHGS-JTQLQIEISA-N
MW303.36 g/mol
LogP2.52
Rot. Bonds2

About tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate

tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate (PubChem CID 165085489) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate
PubChem CID165085489
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Nametert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C16H21N3O3/c1-10(17-15(21)22-16(2,3)4)13-18-12-9-7-6-8-11(12)14(20)19(13)5/h6-10H,1-5H3,(H,17,21)/t10-/m0/s1
InChIKeyVVJHRWHCMLMHGS-JTQLQIEISA-N
XLogP2.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate (CID 165085489) is tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate?
The InChIKey is VVJHRWHCMLMHGS-JTQLQIEISA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10(17-15(21)22-16(2,3)4)13-18-12-9-7-6-8-11(12)14(20)19(13)5/h6-10H,1-5H3,(H,17,21)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate?
tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate has a molecular weight of 303.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate is sourced from PubChem (CID 165085489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).