8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline

C12H11BrClN3 — CID 114693490

IUPAC8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
SMILESClc1nc(N2CCCC2)c2cccc(Br)c2n1
InChIInChI=1S/C12H11BrClN3/c13-9-5-3-4-8-10(9)15-12(14)16-11(8)17-6-1-2-7-17/h3-5H,1-2,6-7H2
InChIKeyYYGLHKZRUIYEDA-UHFFFAOYSA-N
MW312.60 g/mol
LogP3.65
Rot. Bonds1

About 8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline

8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline (PubChem CID 114693490) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is 8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
PubChem CID114693490
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
SMILESClc1nc(N2CCCC2)c2cccc(Br)c2n1
InChIInChI=1S/C12H11BrClN3/c13-9-5-3-4-8-10(9)15-12(14)16-11(8)17-6-1-2-7-17/h3-5H,1-2,6-7H2
InChIKeyYYGLHKZRUIYEDA-UHFFFAOYSA-N
XLogP3.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline
CID 114692806
4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane
CID 166162600
7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
CID 114693019
2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124766
8-bromo-2-chloro-N-methylquinazolin-4-amine
CID 114693495
8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine
CID 114693492
2,6-dichloro-4-pyrrolidin-1-ylquinazoline
CID 114692901
8-bromo-2-chloroquinazolin-4-amine;8-bromo-2,4-dichloroquinazoline;oxolane
CID 159859261
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 107602258
2-chloro-9-phenyl-6-piperidin-1-ylpurine
CID 53496023
4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 130547969

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline?
The IUPAC name of 8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline (CID 114693490) is 8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline is Clc1nc(N2CCCC2)c2cccc(Br)c2n1.
What is the InChIKey of 8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline?
The InChIKey is YYGLHKZRUIYEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c13-9-5-3-4-8-10(9)15-12(14)16-11(8)17-6-1-2-7-17/h3-5H,1-2,6-7H2.
What are the key properties of 8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline?
8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline has a molecular weight of 312.60 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 114693490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).