2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one

C12H13Cl2N3O — CID 117263733

IUPAC2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one
SMILESCNC(C)Cn1c(Cl)nc2cccc(Cl)c2c1=O
InChIInChI=1S/C12H13Cl2N3O/c1-7(15-2)6-17-11(18)10-8(13)4-3-5-9(10)16-12(17)14/h3-5,7,15H,6H2,1-2H3
InChIKeyZMKFLTVAACGKDS-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.31
Rot. Bonds3

About 2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one

2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one (PubChem CID 117263733) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one.

Molecular Properties

Compound Name2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one
PubChem CID117263733
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one
SMILESCNC(C)Cn1c(Cl)nc2cccc(Cl)c2c1=O
InChIInChI=1S/C12H13Cl2N3O/c1-7(15-2)6-17-11(18)10-8(13)4-3-5-9(10)16-12(17)14/h3-5,7,15H,6H2,1-2H3
InChIKeyZMKFLTVAACGKDS-UHFFFAOYSA-N
XLogP2.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one
CID 117264101
3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one
CID 117263724
2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid
CID 117263802
2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one
CID 117264434
3-butan-2-yl-5-chloro-2-[1-(methylamino)ethyl]quinazolin-4-one
CID 123933118
2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 155000155
3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one
CID 123454317
8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one
CID 22484710
2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one
CID 118573947
2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one
CID 117263689
2-(1-aminoethyl)-5-chloro-3-(3-methoxy-3-methylbutyl)quinazolin-4-one
CID 118574153
3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide
CID 118574062

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one?
The IUPAC name of 2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one (CID 117263733) is 2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one.
What is the SMILES notation for 2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one?
The canonical SMILES for 2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one is CNC(C)Cn1c(Cl)nc2cccc(Cl)c2c1=O.
What is the InChIKey of 2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one?
The InChIKey is ZMKFLTVAACGKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c1-7(15-2)6-17-11(18)10-8(13)4-3-5-9(10)16-12(17)14/h3-5,7,15H,6H2,1-2H3.
What are the key properties of 2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one?
2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one has a molecular weight of 286.16 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one is sourced from PubChem (CID 117263733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).