6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline

C12H10Br2ClN3 — CID 114692806

IUPAC6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline
SMILESClc1nc(N2CCCC2)c2cc(Br)cc(Br)c2n1
InChIInChI=1S/C12H10Br2ClN3/c13-7-5-8-10(9(14)6-7)16-12(15)17-11(8)18-3-1-2-4-18/h5-6H,1-4H2
InChIKeyZFEBNSJOYJXVJI-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.41
Rot. Bonds1

About 6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline

6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline (PubChem CID 114692806) has the molecular formula C12H10Br2ClN3 and a molecular weight of 391.49 g/mol. Its IUPAC name is 6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline
PubChem CID114692806
Molecular FormulaC12H10Br2ClN3
Molecular Weight391.49 g/mol
Exact Mass388.89
IUPAC Name6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline
SMILESClc1nc(N2CCCC2)c2cc(Br)cc(Br)c2n1
InChIInChI=1S/C12H10Br2ClN3/c13-7-5-8-10(9(14)6-7)16-12(15)17-11(8)18-3-1-2-4-18/h5-6H,1-4H2
InChIKeyZFEBNSJOYJXVJI-UHFFFAOYSA-N
XLogP4.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
CID 114693490
7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
CID 114693019
2,6-dichloro-4-pyrrolidin-1-ylquinazoline
CID 114692901
4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane
CID 166162600
2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124766
4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 130547955
6,8-dibromo-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135781280
4-(7-bromo-2-chloro-8-fluoro-6-iodoquinazolin-4-yl)-2-fluoro-1,4-oxazepane
CID 175510506
4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 130547969
6,8-dibromo-4-chloro-2-cyclopropylquinazoline
CID 106584417
6,8-dibromo-4-chloro-2-cyclopropylquinoline
CID 63409162
1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine
CID 168511656

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline?
The IUPAC name of 6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline (CID 114692806) is 6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline is Clc1nc(N2CCCC2)c2cc(Br)cc(Br)c2n1.
What is the InChIKey of 6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline?
The InChIKey is ZFEBNSJOYJXVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2ClN3/c13-7-5-8-10(9(14)6-7)16-12(15)17-11(8)18-3-1-2-4-18/h5-6H,1-4H2.
What are the key properties of 6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline?
6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline has a molecular weight of 391.49 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 114692806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).