10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one

C12H11BrN2O2 — CID 90249541

IUPAC10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one
SMILESO=c1c2ccc(Br)cc2nc2n1CCCCO2
InChIInChI=1S/C12H11BrN2O2/c13-8-3-4-9-10(7-8)14-12-15(11(9)16)5-1-2-6-17-12/h3-4,7H,1-2,5-6H2
InChIKeyXIDHDQCPXQQYDD-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.33
Rot. Bonds

About 10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one

10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one (PubChem CID 90249541) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one.

Molecular Properties

Compound Name10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one
PubChem CID90249541
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one
SMILESO=c1c2ccc(Br)cc2nc2n1CCCCO2
InChIInChI=1S/C12H11BrN2O2/c13-8-3-4-9-10(7-8)14-12-15(11(9)16)5-1-2-6-17-12/h3-4,7H,1-2,5-6H2
InChIKeyXIDHDQCPXQQYDD-UHFFFAOYSA-N
XLogP2.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Propoxy-3-propyl-4(3H)-quinazolinone
CID 11770728
3-(3-Bromo-phenyl)-3H-quinazolin-4-one
CID 775093
2-[(E)-2-(4-bromophenyl)vinyl]-3-methylquinazolin-4(3H)-one
CID 5344732
2-[2-(4-bromophenyl)vinyl]-3-(2-hydroxyethyl)-4(3H)-quinazolinone
CID 5729368
2-Bromo-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6h)-one
CID 722608
7-Bromo-3,4-dihydroquinazolin-4-one
CID 135555612
3-[2-(4-Bromophenyl)-2-oxoethyl]quinazolin-4-one
CID 738367
6-Bromo-3-ethylquinazolin-4-one
CID 40557773
6-Bromo-3-propylquinazolin-4-one
CID 42893846
3-allyl-6-bromoquinazolin-4(3H)-one
CID 727510
4-(6-Bromo-4-oxo-4H-quinazolin-3-yl)-butyric acid ethyl ester
CID 10688432
3-(4-Bromobenzyl)-4(3H)-quinazolinone
CID 853039

Frequently Asked Questions

What is the IUPAC name of 10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one?
The IUPAC name of 10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one (CID 90249541) is 10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one.
What is the SMILES notation for 10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one?
The canonical SMILES for 10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one is O=c1c2ccc(Br)cc2nc2n1CCCCO2.
What is the InChIKey of 10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one?
The InChIKey is XIDHDQCPXQQYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-8-3-4-9-10(7-8)14-12-15(11(9)16)5-1-2-6-17-12/h3-4,7H,1-2,5-6H2.
What are the key properties of 10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one?
10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one has a molecular weight of 295.14 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one is sourced from PubChem (CID 90249541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).