methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate

C12H13N3O3 — CID 110352045

IUPACmethyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate
SMILESCOC(=O)NCc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C12H13N3O3/c1-15-10(7-13-12(17)18-2)14-9-6-4-3-5-8(9)11(15)16/h3-6H,7H2,1-2H3,(H,13,17)
InChIKeyIGAKCNAIZLBMAR-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.79
Rot. Bonds2

About methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate

methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate (PubChem CID 110352045) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate
PubChem CID110352045
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Namemethyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate
SMILESCOC(=O)NCc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C12H13N3O3/c1-15-10(7-13-12(17)18-2)14-9-6-4-3-5-8(9)11(15)16/h3-6H,7H2,1-2H3,(H,13,17)
InChIKeyIGAKCNAIZLBMAR-UHFFFAOYSA-N
XLogP0.79
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide
CID 84513157
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide
CID 110351985
(3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate
CID 71362008
1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea
CID 110352028
3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide
CID 110352040
tert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate
CID 11427584
methyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate
CID 23738534
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid
CID 61394536
3-methyl-2-[[4-[4-[(3-methyl-4-oxoquinazolin-2-yl)methylamino]phenyl]anilino]methyl]quinazolin-4-one
CID 139248827
2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate?
The IUPAC name of methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate (CID 110352045) is methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate is COC(=O)NCc1nc2ccccc2c(=O)n1C.
What is the InChIKey of methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate?
The InChIKey is IGAKCNAIZLBMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-15-10(7-13-12(17)18-2)14-9-6-4-3-5-8(9)11(15)16/h3-6H,7H2,1-2H3,(H,13,17).
What are the key properties of methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate?
methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate has a molecular weight of 247.25 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate is sourced from PubChem (CID 110352045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).