3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline

C12H12Br2N2 — CID 54322248

IUPAC3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
SMILESBrc1ccc2c(c1Br)N=C1CCCCN1C2
InChIInChI=1S/C12H12Br2N2/c13-9-5-4-8-7-16-6-2-1-3-10(16)15-12(8)11(9)14/h4-5H,1-3,6-7H2
InChIKeySSLLCRGXYITIAL-UHFFFAOYSA-N
MW344.05 g/mol
LogP4.24
Rot. Bonds

About 3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline

3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline (PubChem CID 54322248) has the molecular formula C12H12Br2N2 and a molecular weight of 344.05 g/mol. Its IUPAC name is 3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline.

Molecular Properties

Compound Name3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
PubChem CID54322248
Molecular FormulaC12H12Br2N2
Molecular Weight344.05 g/mol
Exact Mass341.94
IUPAC Name3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
SMILESBrc1ccc2c(c1Br)N=C1CCCCN1C2
InChIInChI=1S/C12H12Br2N2/c13-9-5-4-8-7-16-6-2-1-3-10(16)15-12(8)11(9)14/h4-5H,1-3,6-7H2
InChIKeySSLLCRGXYITIAL-UHFFFAOYSA-N
XLogP4.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.05
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
CID 18992242
4-chloro-3-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 18992973
6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 10241903
1-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
CID 18992664
3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
CID 18992542
1-bromo-3-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 18992740
6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
CID 18992286
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol
CID 130034310
3,5,6,7,8,9,10,11-octahydroimidazo[1,2-a]azonin-2-one
CID 90226489
2-chloro-4-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 18992668
6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbohydrazide
CID 140735901
3-bromo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline;1-ethynyl-4-fluorobenzene;3-[2-(4-fluorophenyl)ethynyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 158909720

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The IUPAC name of 3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline (CID 54322248) is 3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline.
What is the SMILES notation for 3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The canonical SMILES for 3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline is Brc1ccc2c(c1Br)N=C1CCCCN1C2.
What is the InChIKey of 3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The InChIKey is SSLLCRGXYITIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2/c13-9-5-4-8-7-16-6-2-1-3-10(16)15-12(8)11(9)14/h4-5H,1-3,6-7H2.
What are the key properties of 3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline has a molecular weight of 344.05 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline is sourced from PubChem (CID 54322248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).