7-bromo-3-methyl-2-morpholin-3-ylquinazolin-4-one

C13H14BrN3O2 — CID 58574885

IUPAC7-bromo-3-methyl-2-morpholin-3-ylquinazolin-4-one
SMILESCn1c(C2COCCN2)nc2cc(Br)ccc2c1=O
InChIInChI=1S/C13H14BrN3O2/c1-17-12(11-7-19-5-4-15-11)16-10-6-8(14)2-3-9(10)13(17)18/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeyHFPOQUYZSVXPEH-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.36
Rot. Bonds1

About 7-bromo-3-methyl-2-morpholin-3-ylquinazolin-4-one

7-bromo-3-methyl-2-morpholin-3-ylquinazolin-4-one (PubChem CID 58574885) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 7-bromo-3-methyl-2-morpholin-3-ylquinazolin-4-one.

Molecular Properties

Compound Name7-bromo-3-methyl-2-morpholin-3-ylquinazolin-4-one
PubChem CID58574885
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name7-bromo-3-methyl-2-morpholin-3-ylquinazolin-4-one
SMILESCn1c(C2COCCN2)nc2cc(Br)ccc2c1=O
InChIInChI=1S/C13H14BrN3O2/c1-17-12(11-7-19-5-4-15-11)16-10-6-8(14)2-3-9(10)13(17)18/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeyHFPOQUYZSVXPEH-UHFFFAOYSA-N
XLogP1.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

AR-434/41599876
CID 135399149
6-bromo-3-ethyl-2-[(1R)-1-[(3R)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one
CID 147197909
6-bromo-3-ethyl-2-[(1S)-1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one
CID 147197911
6-bromo-3-ethyl-2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one
CID 147197912
2-[2-cyclopropyl-1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 147692304
6-Bromo-3-ethyl-2-(1-piperazin-1-ylbutyl)quinazolin-4-one
CID 147757093
3-(2-Methoxyethyl)-2-(1-piperazin-1-ylbutyl)quinazolin-4-one
CID 148372331
6-bromo-2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylquinazolin-4-one
CID 153574159
6-bromo-3-ethyl-2-[(1R)-1-[(3S)-3-ethylpiperazin-1-yl]butyl]quinazolin-4-one
CID 153574173
7-bromo-2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylquinazolin-4-one
CID 153574241
5-bromo-2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylquinazolin-4-one
CID 153574323
2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 153574346

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methyl-2-morpholin-3-ylquinazolin-4-one?
The IUPAC name of 7-bromo-3-methyl-2-morpholin-3-ylquinazolin-4-one (CID 58574885) is 7-bromo-3-methyl-2-morpholin-3-ylquinazolin-4-one.
What is the SMILES notation for 7-bromo-3-methyl-2-morpholin-3-ylquinazolin-4-one?
The canonical SMILES for 7-bromo-3-methyl-2-morpholin-3-ylquinazolin-4-one is Cn1c(C2COCCN2)nc2cc(Br)ccc2c1=O.
What is the InChIKey of 7-bromo-3-methyl-2-morpholin-3-ylquinazolin-4-one?
The InChIKey is HFPOQUYZSVXPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-17-12(11-7-19-5-4-15-11)16-10-6-8(14)2-3-9(10)13(17)18/h2-3,6,11,15H,4-5,7H2,1H3.
What are the key properties of 7-bromo-3-methyl-2-morpholin-3-ylquinazolin-4-one?
7-bromo-3-methyl-2-morpholin-3-ylquinazolin-4-one has a molecular weight of 324.18 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methyl-2-morpholin-3-ylquinazolin-4-one is sourced from PubChem (CID 58574885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).