6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione

C11H12ClN3O2 — CID 117262610

IUPAC6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione
SMILESCNCn1c(=O)c2cc(Cl)ccc2n(C)c1=O
InChIInChI=1S/C11H12ClN3O2/c1-13-6-15-10(16)8-5-7(12)3-4-9(8)14(2)11(15)17/h3-5,13H,6H2,1-2H3
InChIKeyGDYVBAWZDDDNDZ-UHFFFAOYSA-N
MW253.69 g/mol
LogP0.53
Rot. Bonds2

About 6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione

6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione (PubChem CID 117262610) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione
PubChem CID117262610
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione
SMILESCNCn1c(=O)c2cc(Cl)ccc2n(C)c1=O
InChIInChI=1S/C11H12ClN3O2/c1-13-6-15-10(16)8-5-7(12)3-4-9(8)14(2)11(15)17/h3-5,13H,6H2,1-2H3
InChIKeyGDYVBAWZDDDNDZ-UHFFFAOYSA-N
XLogP0.53
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione
CID 117262591
6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
CID 117262456
6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
CID 117262430
1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine
CID 83868331
2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
CID 84628695
1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione
CID 117262294
1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine
CID 82494517
5-chloro-1,3-dimethylbenzimidazol-2-one;ethane
CID 144584589
2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264080
6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
CID 117262573
2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117262736
3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione
CID 117262435

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione?
The IUPAC name of 6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione (CID 117262610) is 6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione.
What is the SMILES notation for 6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione?
The canonical SMILES for 6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione is CNCn1c(=O)c2cc(Cl)ccc2n(C)c1=O.
What is the InChIKey of 6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione?
The InChIKey is GDYVBAWZDDDNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-13-6-15-10(16)8-5-7(12)3-4-9(8)14(2)11(15)17/h3-5,13H,6H2,1-2H3.
What are the key properties of 6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione?
6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione has a molecular weight of 253.69 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione is sourced from PubChem (CID 117262610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).