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

C12H13BrN2 — CID 18992470

IUPAC2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
SMILESBrc1ccc2c(c1)CN1CCCCC1=N2
InChIInChI=1S/C12H13BrN2/c13-10-4-5-11-9(7-10)8-15-6-2-1-3-12(15)14-11/h4-5,7H,1-3,6,8H2
InChIKeyPYHQPFKKNIWUCF-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.48
Rot. Bonds

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

2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline (PubChem CID 18992470) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline.

Molecular Properties

Compound Name2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
PubChem CID18992470
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
SMILESBrc1ccc2c(c1)CN1CCCCC1=N2
InChIInChI=1S/C12H13BrN2/c13-10-4-5-11-9(7-10)8-15-6-2-1-3-12(15)14-11/h4-5,7H,1-3,6,8H2
InChIKeyPYHQPFKKNIWUCF-UHFFFAOYSA-N
XLogP3.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazoline
CID 9797962
6,8,9,11-Tetrahydro-7H-pyrido[2,1-b]quinazoline
CID 6420076
7-Bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
CID 928277
6-bromo-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54758182
4-Bromo-2-methyl-N-(1-(2-propenyl)-2-pyrrolidinylidene)benzenamine
CID 213844
4-Bromo-2-methyl-N-(1-(2-methyl-1-propenyl)-2-pyrrolidinylidene)benzenamine
CID 216551
7-bromo-2-(4-methylpiperazin-1-yl)-3-phenyl-5H-1-benzazepine;dihydrochloride
CID 13953571
7-bromo-3-phenyl-2-(4-phenylpiperazin-1-yl)-5H-1-benzazepine
CID 13953573
7-bromo-2-(4-ethylpiperazin-1-yl)-3-phenyl-5H-1-benzazepine;dihydrochloride
CID 13953630
7-bromo-3-phenyl-2-(4-prop-2-enylpiperazin-1-yl)-5H-1-benzazepine
CID 13953631
7-bromo-3-phenyl-2-(4-prop-2-ynylpiperazin-1-yl)-5H-1-benzazepine
CID 13953632
7-bromo-3-phenyl-2-piperidin-1-yl-5H-1-benzazepine
CID 13953660

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The IUPAC name of 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline (CID 18992470) is 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline.
What is the SMILES notation for 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The canonical SMILES for 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline is Brc1ccc2c(c1)CN1CCCCC1=N2.
What is the InChIKey of 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The InChIKey is PYHQPFKKNIWUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c13-10-4-5-11-9(7-10)8-15-6-2-1-3-12(15)14-11/h4-5,7H,1-3,6,8H2.
What are the key properties of 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline has a molecular weight of 265.15 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline is sourced from PubChem (CID 18992470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).