2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol

C12H13BrN2O — CID 44537692

IUPAC2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol
SMILESOC1c2cc(Br)ccc2N=C2CCCCN21
InChIInChI=1S/C12H13BrN2O/c13-8-4-5-10-9(7-8)12(16)15-6-2-1-3-11(15)14-10/h4-5,7,12,16H,1-3,6H2
InChIKeyZUXUVUOTURPEFM-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.97
Rot. Bonds

About 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol

2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol (PubChem CID 44537692) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol.

Molecular Properties

Compound Name2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol
PubChem CID44537692
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol
SMILESOC1c2cc(Br)ccc2N=C2CCCCN21
InChIInChI=1S/C12H13BrN2O/c13-8-4-5-10-9(7-8)12(16)15-6-2-1-3-11(15)14-10/h4-5,7,12,16H,1-3,6H2
InChIKeyZUXUVUOTURPEFM-UHFFFAOYSA-N
XLogP2.97
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol?
The IUPAC name of 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol (CID 44537692) is 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol.
What is the SMILES notation for 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol?
The canonical SMILES for 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol is OC1c2cc(Br)ccc2N=C2CCCCN21.
What is the InChIKey of 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol?
The InChIKey is ZUXUVUOTURPEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-8-4-5-10-9(7-8)12(16)15-6-2-1-3-11(15)14-10/h4-5,7,12,16H,1-3,6H2.
What are the key properties of 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol?
2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol has a molecular weight of 281.15 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol is sourced from PubChem (CID 44537692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).