7-bromopyrimido[4,5-b]quinolin-2-amine

C11H7BrN4 — CID 84642075

IUPAC7-bromopyrimido[4,5-b]quinolin-2-amine
SMILESNc1ncc2cc3cc(Br)ccc3nc2n1
InChIInChI=1S/C11H7BrN4/c12-8-1-2-9-6(4-8)3-7-5-14-11(13)16-10(7)15-9/h1-5H,(H2,13,14,15,16)
InChIKeyKKZAQNSTPLGXMM-UHFFFAOYSA-N
MW275.11 g/mol
LogP2.52
Rot. Bonds

About 7-bromopyrimido[4,5-b]quinolin-2-amine

7-bromopyrimido[4,5-b]quinolin-2-amine (PubChem CID 84642075) has the molecular formula C11H7BrN4 and a molecular weight of 275.11 g/mol. Its IUPAC name is 7-bromopyrimido[4,5-b]quinolin-2-amine.

Molecular Properties

Compound Name7-bromopyrimido[4,5-b]quinolin-2-amine
PubChem CID84642075
Molecular FormulaC11H7BrN4
Molecular Weight275.11 g/mol
Exact Mass273.99
IUPAC Name7-bromopyrimido[4,5-b]quinolin-2-amine
SMILESNc1ncc2cc3cc(Br)ccc3nc2n1
InChIInChI=1S/C11H7BrN4/c12-8-1-2-9-6(4-8)3-7-5-14-11(13)16-10(7)15-9/h1-5H,(H2,13,14,15,16)
InChIKeyKKZAQNSTPLGXMM-UHFFFAOYSA-N
XLogP2.52
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-bromopyrimido[4,5-b]quinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrimido[4,5-b]quinolin-2-amine
CID 10987174
8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine
CID 84638408
6-bromo-2-chloroquinolin-3-amine
CID 114553732
6-bromo-2-chloroquinazoline;ethane
CID 143712376
pyrido[2,3-d]pyrimidine-2,7-diamine
CID 22134678
ethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine
CID 91413319
2,7-dibromoquinoxaline
CID 827486
6-(trifluoromethyl)quinazolin-2-amine
CID 10584686
2,6-dibromo-3-methylquinoline
CID 39423757
7-bromopyrido[3,2-d]pyrimidin-2-amine
CID 122129854
2,6-dibromo-3-iodoquinoline
CID 168869805
6-bromo-3-chlorocinnoline
CID 163198532

Frequently Asked Questions

What is the IUPAC name of 7-bromopyrimido[4,5-b]quinolin-2-amine?
The IUPAC name of 7-bromopyrimido[4,5-b]quinolin-2-amine (CID 84642075) is 7-bromopyrimido[4,5-b]quinolin-2-amine.
What is the SMILES notation for 7-bromopyrimido[4,5-b]quinolin-2-amine?
The canonical SMILES for 7-bromopyrimido[4,5-b]quinolin-2-amine is Nc1ncc2cc3cc(Br)ccc3nc2n1.
What is the InChIKey of 7-bromopyrimido[4,5-b]quinolin-2-amine?
The InChIKey is KKZAQNSTPLGXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4/c12-8-1-2-9-6(4-8)3-7-5-14-11(13)16-10(7)15-9/h1-5H,(H2,13,14,15,16).
What are the key properties of 7-bromopyrimido[4,5-b]quinolin-2-amine?
7-bromopyrimido[4,5-b]quinolin-2-amine has a molecular weight of 275.11 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromopyrimido[4,5-b]quinolin-2-amine is sourced from PubChem (CID 84642075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).