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

C12H11BrClN3 — CID 114693019

IUPAC7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
SMILESClc1nc(N2CCCC2)c2ccc(Br)cc2n1
InChIInChI=1S/C12H11BrClN3/c13-8-3-4-9-10(7-8)15-12(14)16-11(9)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2
InChIKeyKSMPNVOFKDTZSX-UHFFFAOYSA-N
MW312.60 g/mol
LogP3.65
Rot. Bonds1

About 7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline

7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline (PubChem CID 114693019) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is 7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
PubChem CID114693019
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
SMILESClc1nc(N2CCCC2)c2ccc(Br)cc2n1
InChIInChI=1S/C12H11BrClN3/c13-8-3-4-9-10(7-8)15-12(14)16-11(9)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2
InChIKeyKSMPNVOFKDTZSX-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

4-(azepan-1-yl)-7-bromo-2-methylquinazoline
CID 69428086
2,6-dichloro-4-pyrrolidin-1-ylquinazoline
CID 114692901
6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline
CID 114692806
2-chloro-4-morpholin-4-ylquinazolin-7-ol
CID 137308981
4-(7-bromo-2-chloroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylic acid
CID 170310651
8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
CID 114693490
7-bromo-4-morpholin-4-ylquinazolin-2-amine
CID 133057180
4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine
CID 86665759
5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole
CID 169177596
2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline
CID 62993464
4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 130547969
ethyl 4-(7-tert-butyl-2-chloroquinazolin-4-yl)piperazine-1-carboxylate
CID 86633459

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline?
The IUPAC name of 7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline (CID 114693019) is 7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline is Clc1nc(N2CCCC2)c2ccc(Br)cc2n1.
What is the InChIKey of 7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline?
The InChIKey is KSMPNVOFKDTZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c13-8-3-4-9-10(7-8)15-12(14)16-11(9)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2.
What are the key properties of 7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline?
7-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 7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 114693019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).