4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine

C12H12BrN3 — CID 18992578

IUPAC4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2cccc(Br)c2nc2n1CCCC2
InChIInChI=1S/C12H12BrN3/c13-9-5-3-4-8-11(9)15-10-6-1-2-7-16(10)12(8)14/h3-5,14H,1-2,6-7H2/b14-12-
InChIKeyOOGVHLCZRFNNCA-OWBHPGMISA-N
MW278.15 g/mol
LogP2.61
Rot. Bonds

About 4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine

4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine (PubChem CID 18992578) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine.

Molecular Properties

Compound Name4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine
PubChem CID18992578
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine
SMILES[H]/N=c1/c2cccc(Br)c2nc2n1CCCC2
InChIInChI=1S/C12H12BrN3/c13-9-5-3-4-8-11(9)15-10-6-1-2-7-16(10)12(8)14/h3-5,14H,1-2,6-7H2/b14-12-
InChIKeyOOGVHLCZRFNNCA-OWBHPGMISA-N
XLogP2.61
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine?
The IUPAC name of 4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine (CID 18992578) is 4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine.
What is the SMILES notation for 4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine?
The canonical SMILES for 4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine is [H]/N=c1/c2cccc(Br)c2nc2n1CCCC2.
What is the InChIKey of 4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine?
The InChIKey is OOGVHLCZRFNNCA-OWBHPGMISA-N. The full InChI is InChI=1S/C12H12BrN3/c13-9-5-3-4-8-11(9)15-10-6-1-2-7-16(10)12(8)14/h3-5,14H,1-2,6-7H2/b14-12-.
What are the key properties of 4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine?
4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine has a molecular weight of 278.15 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine is sourced from PubChem (CID 18992578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).