N-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide

C12H13N3O3 — CID 141208887

IUPACN-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide
SMILESCN(C=O)Cc1ccc2c(c1)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C12H13N3O3/c1-14(7-16)6-8-3-4-10-9(5-8)11(17)13-12(18)15(10)2/h3-5,7H,6H2,1-2H3,(H,13,17,18)
InChIKeyNNJOFPODKDEQRG-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.19
Rot. Bonds3

About N-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide

N-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide (PubChem CID 141208887) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide
PubChem CID141208887
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide
SMILESCN(C=O)Cc1ccc2c(c1)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C12H13N3O3/c1-14(7-16)6-8-3-4-10-9(5-8)11(17)13-12(18)15(10)2/h3-5,7H,6H2,1-2H3,(H,13,17,18)
InChIKeyNNJOFPODKDEQRG-UHFFFAOYSA-N
XLogP-0.19
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2,4-dioxoquinazoline-6-carbonitrile
CID 141120562
N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine
CID 23264168
6-(aminomethyl)-3-methyl-1H-benzimidazol-2-one
CID 65037640
1-methylthieno[3,4-d]pyrimidine-2,4-dione
CID 142054366
3-methyl-2-oxo-1H-benzimidazole-5-carbaldehyde
CID 83874497
1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide
CID 177374477
6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 170587653
1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine
CID 158535131
5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one
CID 83882487
3-methyl-6-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one
CID 117365590
6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 12028356
3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
CID 144928816

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide?
The IUPAC name of N-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide (CID 141208887) is N-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide.
What is the SMILES notation for N-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide?
The canonical SMILES for N-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide is CN(C=O)Cc1ccc2c(c1)c(=O)[nH]c(=O)n2C.
What is the InChIKey of N-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide?
The InChIKey is NNJOFPODKDEQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-14(7-16)6-8-3-4-10-9(5-8)11(17)13-12(18)15(10)2/h3-5,7H,6H2,1-2H3,(H,13,17,18).
What are the key properties of N-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide?
N-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide has a molecular weight of 247.25 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methyl-2,4-dioxoquinazolin-6-yl)methyl]formamide is sourced from PubChem (CID 141208887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).