(3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate

C12H13N3O3 — CID 71362008

IUPAC(3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C12H13N3O3/c1-13-12(17)18-7-10-14-9-6-4-3-5-8(9)11(16)15(10)2/h3-6H,7H2,1-2H3,(H,13,17)
InChIKeyRAMIIAZKKFCUPD-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.79
Rot. Bonds2

About (3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate

(3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate (PubChem CID 71362008) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is (3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate.

Molecular Properties

Compound Name(3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate
PubChem CID71362008
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name(3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C12H13N3O3/c1-13-12(17)18-7-10-14-9-6-4-3-5-8(9)11(16)15(10)2/h3-6H,7H2,1-2H3,(H,13,17)
InChIKeyRAMIIAZKKFCUPD-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

2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid
CID 61394536
methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate
CID 110352045
methyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate
CID 23738534
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
CID 75537334
2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 43021661
N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 110712288
(E)-N-formyl-7-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]-2-sulfanylideneoct-6-enamide
CID 123608335
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide
CID 84513157
3-methyl-2-[[4-[4-[(3-methyl-4-oxoquinazolin-2-yl)methylamino]phenyl]anilino]methyl]quinazolin-4-one
CID 139248827

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate?
The IUPAC name of (3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate (CID 71362008) is (3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate.
What is the SMILES notation for (3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate?
The canonical SMILES for (3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate is CNC(=O)OCc1nc2ccccc2c(=O)n1C.
What is the InChIKey of (3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate?
The InChIKey is RAMIIAZKKFCUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-13-12(17)18-7-10-14-9-6-4-3-5-8(9)11(16)15(10)2/h3-6H,7H2,1-2H3,(H,13,17).
What are the key properties of (3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate?
(3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate 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 (3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate is sourced from PubChem (CID 71362008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).