3-bromo-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline

C12H12BrFN2 — CID 18992289

IUPAC3-bromo-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
SMILESFc1cc(Br)cc2c1CN1CCCCC1=N2
InChIInChI=1S/C12H12BrFN2/c13-8-5-10(14)9-7-16-4-2-1-3-12(16)15-11(9)6-8/h5-6H,1-4,7H2
InChIKeyOXIJENBWBKSPHB-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.62
Rot. Bonds

About 3-bromo-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline

3-bromo-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline (PubChem CID 18992289) has the molecular formula C12H12BrFN2 and a molecular weight of 283.14 g/mol. Its IUPAC name is 3-bromo-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline.

Molecular Properties

Compound Name3-bromo-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
PubChem CID18992289
Molecular FormulaC12H12BrFN2
Molecular Weight283.14 g/mol
Exact Mass282.02
IUPAC Name3-bromo-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
SMILESFc1cc(Br)cc2c1CN1CCCCC1=N2
InChIInChI=1S/C12H12BrFN2/c13-8-5-10(14)9-7-16-4-2-1-3-12(16)15-11(9)6-8/h5-6H,1-4,7H2
InChIKeyOXIJENBWBKSPHB-UHFFFAOYSA-N
XLogP3.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The IUPAC name of 3-bromo-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline (CID 18992289) is 3-bromo-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline.
What is the SMILES notation for 3-bromo-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The canonical SMILES for 3-bromo-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline is Fc1cc(Br)cc2c1CN1CCCCC1=N2.
What is the InChIKey of 3-bromo-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The InChIKey is OXIJENBWBKSPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2/c13-8-5-10(14)9-7-16-4-2-1-3-12(16)15-11(9)6-8/h5-6H,1-4,7H2.
What are the key properties of 3-bromo-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
3-bromo-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline has a molecular weight of 283.14 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline is sourced from PubChem (CID 18992289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).