1-bromo-7-ethyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one

C14H15BrN2O — CID 175715266

IUPAC1-bromo-7-ethyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
SMILESCCC1CCn2c(nc3cccc(Br)c3c2=O)C1
InChIInChI=1S/C14H15BrN2O/c1-2-9-6-7-17-12(8-9)16-11-5-3-4-10(15)13(11)14(17)18/h3-5,9H,2,6-8H2,1H3
InChIKeyJCUPIRAEVJYQTP-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.13
Rot. Bonds1

About 1-bromo-7-ethyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one

1-bromo-7-ethyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one (PubChem CID 175715266) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-bromo-7-ethyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name1-bromo-7-ethyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
PubChem CID175715266
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name1-bromo-7-ethyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
SMILESCCC1CCn2c(nc3cccc(Br)c3c2=O)C1
InChIInChI=1S/C14H15BrN2O/c1-2-9-6-7-17-12(8-9)16-11-5-3-4-10(15)13(11)14(17)18/h3-5,9H,2,6-8H2,1H3
InChIKeyJCUPIRAEVJYQTP-UHFFFAOYSA-N
XLogP3.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-12-ethyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,6,9-tetraen-2-one
CID 166046841
(3S)-3-bromo-8-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 95757258
3-bromo-8-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 58574237
1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 86150310
2-bromo-6-(4-ethylpiperidin-1-yl)pyridine
CID 63963224
3-amino-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-ol
CID 115022961
6-bromo-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
CID 166626163
2-[(1S)-1-aminopropyl]-5-bromo-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 118576029
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956337
1-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 123373711
5-bromo-2-pentyl-3H-quinazolin-4-one
CID 150394937
8-bromo-1,3-dimethylquinoxalin-2-one
CID 75486181

Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-ethyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 1-bromo-7-ethyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one (CID 175715266) is 1-bromo-7-ethyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 1-bromo-7-ethyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 1-bromo-7-ethyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one is CCC1CCn2c(nc3cccc(Br)c3c2=O)C1.
What is the InChIKey of 1-bromo-7-ethyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
The InChIKey is JCUPIRAEVJYQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-2-9-6-7-17-12(8-9)16-11-5-3-4-10(15)13(11)14(17)18/h3-5,9H,2,6-8H2,1H3.
What are the key properties of 1-bromo-7-ethyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
1-bromo-7-ethyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one has a molecular weight of 307.19 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-ethyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 175715266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).