3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine

C12H14BrN3 — CID 84811803

IUPAC3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine
SMILESCc1nc(CCCN)nc2cc(Br)ccc12
InChIInChI=1S/C12H14BrN3/c1-8-10-5-4-9(13)7-11(10)16-12(15-8)3-2-6-14/h4-5,7H,2-3,6,14H2,1H3
InChIKeyFUPKPERCBHSSKQ-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.59
Rot. Bonds3

About 3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine

3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine (PubChem CID 84811803) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine
PubChem CID84811803
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine
SMILESCc1nc(CCCN)nc2cc(Br)ccc12
InChIInChI=1S/C12H14BrN3/c1-8-10-5-4-9(13)7-11(10)16-12(15-8)3-2-6-14/h4-5,7H,2-3,6,14H2,1H3
InChIKeyFUPKPERCBHSSKQ-UHFFFAOYSA-N
XLogP2.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(7-bromo-4-methylquinazolin-2-yl)propan-1-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

3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine
CID 84815598
3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine
CID 84811801
4,7-dibromo-2-propylquinazoline
CID 106584096
3-(6-bromo-3-methylindazol-2-yl)propan-1-amine
CID 84729922
3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892899
1-(7-bromo-4-methylquinazolin-2-yl)cyclopropan-1-amine
CID 84811348
3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892905
7-bromo-3,4-diethyl-2-methylquinoline
CID 125453419
3-(5-bromo-3-methylindazol-2-yl)propan-1-amine
CID 84729918
7-bromo-4-chloro-2-ethylquinazoline
CID 53404536
3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine
CID 116898107
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine
CID 62745596

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine?
The IUPAC name of 3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine (CID 84811803) is 3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine?
The canonical SMILES for 3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine is Cc1nc(CCCN)nc2cc(Br)ccc12.
What is the InChIKey of 3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine?
The InChIKey is FUPKPERCBHSSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-10-5-4-9(13)7-11(10)16-12(15-8)3-2-6-14/h4-5,7H,2-3,6,14H2,1H3.
What are the key properties of 3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine?
3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine has a molecular weight of 280.17 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine is sourced from PubChem (CID 84811803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).