tert-butyl N-[(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methyl]carbamate

C15H21N3O3 — CID 90951402

IUPACtert-butyl N-[(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methyl]carbamate
SMILESCc1cccc2c1C(=O)NC(CNC(=O)OC(C)(C)C)N2
InChIInChI=1S/C15H21N3O3/c1-9-6-5-7-10-12(9)13(19)18-11(17-10)8-16-14(20)21-15(2,3)4/h5-7,11,17H,8H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyQWEDBVUWJJPAOP-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.00
Rot. Bonds2

About tert-butyl N-[(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methyl]carbamate

tert-butyl N-[(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methyl]carbamate (PubChem CID 90951402) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is tert-butyl N-[(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methyl]carbamate
PubChem CID90951402
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nametert-butyl N-[(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methyl]carbamate
SMILESCc1cccc2c1C(=O)NC(CNC(=O)OC(C)(C)C)N2
InChIInChI=1S/C15H21N3O3/c1-9-6-5-7-10-12(9)13(19)18-11(17-10)8-16-14(20)21-15(2,3)4/h5-7,11,17H,8H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyQWEDBVUWJJPAOP-UHFFFAOYSA-N
XLogP2.00
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methyl]carbamate (CID 90951402) is tert-butyl N-[(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methyl]carbamate is Cc1cccc2c1C(=O)NC(CNC(=O)OC(C)(C)C)N2.
What is the InChIKey of tert-butyl N-[(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methyl]carbamate?
The InChIKey is QWEDBVUWJJPAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9-6-5-7-10-12(9)13(19)18-11(17-10)8-16-14(20)21-15(2,3)4/h5-7,11,17H,8H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of tert-butyl N-[(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methyl]carbamate?
tert-butyl N-[(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methyl]carbamate has a molecular weight of 291.35 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methyl]carbamate is sourced from PubChem (CID 90951402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).