6-bromo-2-piperidin-1-ylquinazoline

C13H14BrN3 — CID 165497693

IUPAC6-bromo-2-piperidin-1-ylquinazoline
SMILESBrc1ccc2nc(N3CCCCC3)ncc2c1
InChIInChI=1S/C13H14BrN3/c14-11-4-5-12-10(8-11)9-15-13(16-12)17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2
InChIKeyQDIPVYVMSINQQD-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.38
Rot. Bonds1

About 6-bromo-2-piperidin-1-ylquinazoline

6-bromo-2-piperidin-1-ylquinazoline (PubChem CID 165497693) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 6-bromo-2-piperidin-1-ylquinazoline.

Molecular Properties

Compound Name6-bromo-2-piperidin-1-ylquinazoline
PubChem CID165497693
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name6-bromo-2-piperidin-1-ylquinazoline
SMILESBrc1ccc2nc(N3CCCCC3)ncc2c1
InChIInChI=1S/C13H14BrN3/c14-11-4-5-12-10(8-11)9-15-13(16-12)17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2
InChIKeyQDIPVYVMSINQQD-UHFFFAOYSA-N
XLogP3.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine
CID 172905670
1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide
CID 171691467
6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
CID 165435723
4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine
CID 170707996
1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide
CID 155800437
6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
CID 166605676
2-pyrrolidin-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
CID 169265947
(1S,5R)-6-(6-bromoquinazolin-2-yl)-3-oxa-6-azabicyclo[3.1.1]heptane
CID 170940728
6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline
CID 171705386
6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
CID 30467452
N-[1-(6-bromoquinazolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172882008
1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid
CID 57407163

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-piperidin-1-ylquinazoline?
The IUPAC name of 6-bromo-2-piperidin-1-ylquinazoline (CID 165497693) is 6-bromo-2-piperidin-1-ylquinazoline.
What is the SMILES notation for 6-bromo-2-piperidin-1-ylquinazoline?
The canonical SMILES for 6-bromo-2-piperidin-1-ylquinazoline is Brc1ccc2nc(N3CCCCC3)ncc2c1.
What is the InChIKey of 6-bromo-2-piperidin-1-ylquinazoline?
The InChIKey is QDIPVYVMSINQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c14-11-4-5-12-10(8-11)9-15-13(16-12)17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 6-bromo-2-piperidin-1-ylquinazoline?
6-bromo-2-piperidin-1-ylquinazoline has a molecular weight of 292.18 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-piperidin-1-ylquinazoline is sourced from PubChem (CID 165497693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).