9-bromo-2-chloropyrimido[4,5-b]quinoline

C11H5BrClN3 — CID 84644107

IUPAC9-bromo-2-chloropyrimido[4,5-b]quinoline
SMILESClc1ncc2cc3cccc(Br)c3nc2n1
InChIInChI=1S/C11H5BrClN3/c12-8-3-1-2-6-4-7-5-14-11(13)16-10(7)15-9(6)8/h1-5H
InChIKeyNTNDKDVBZXICSJ-UHFFFAOYSA-N
MW294.54 g/mol
LogP3.59
Rot. Bonds

About 9-bromo-2-chloropyrimido[4,5-b]quinoline

9-bromo-2-chloropyrimido[4,5-b]quinoline (PubChem CID 84644107) has the molecular formula C11H5BrClN3 and a molecular weight of 294.54 g/mol. Its IUPAC name is 9-bromo-2-chloropyrimido[4,5-b]quinoline.

Molecular Properties

Compound Name9-bromo-2-chloropyrimido[4,5-b]quinoline
PubChem CID84644107
Molecular FormulaC11H5BrClN3
Molecular Weight294.54 g/mol
Exact Mass292.94
IUPAC Name9-bromo-2-chloropyrimido[4,5-b]quinoline
SMILESClc1ncc2cc3cccc(Br)c3nc2n1
InChIInChI=1S/C11H5BrClN3/c12-8-3-1-2-6-4-7-5-14-11(13)16-10(7)15-9(6)8/h1-5H
InChIKeyNTNDKDVBZXICSJ-UHFFFAOYSA-N
XLogP3.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.54
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,8-dichloro-9-methylpyrimido[4,5-b]quinoline
CID 84639415
(9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine
CID 84631736
8-bromo-2-phenylquinazoline
CID 72698916
8-bromo-2-chloro-3-methoxyquinoline
CID 88869143
7-bromo-2-chloroquinazolin-8-ol
CID 59199227
8-bromoquinazoline-2-carbaldehyde
CID 105498713
2-chloro-8-methylquinazoline
CID 53416811
8-bromo-2,3-dimethylquinoline
CID 11402096
2-(8-bromo-2-chloroquinolin-3-yl)acetic acid
CID 84644580
3,8-dibromocinnoline
CID 22314224
8-bromoquinoline-3-carboxylic acid;hydrate
CID 71710960
5-bromoacridine-4-carboxamide
CID 174361134

Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-chloropyrimido[4,5-b]quinoline?
The IUPAC name of 9-bromo-2-chloropyrimido[4,5-b]quinoline (CID 84644107) is 9-bromo-2-chloropyrimido[4,5-b]quinoline.
What is the SMILES notation for 9-bromo-2-chloropyrimido[4,5-b]quinoline?
The canonical SMILES for 9-bromo-2-chloropyrimido[4,5-b]quinoline is Clc1ncc2cc3cccc(Br)c3nc2n1.
What is the InChIKey of 9-bromo-2-chloropyrimido[4,5-b]quinoline?
The InChIKey is NTNDKDVBZXICSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClN3/c12-8-3-1-2-6-4-7-5-14-11(13)16-10(7)15-9(6)8/h1-5H.
What are the key properties of 9-bromo-2-chloropyrimido[4,5-b]quinoline?
9-bromo-2-chloropyrimido[4,5-b]quinoline has a molecular weight of 294.54 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-chloropyrimido[4,5-b]quinoline is sourced from PubChem (CID 84644107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).