1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine

C15H14BrN3O — CID 115959257

IUPAC1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
SMILESCc1cc(CNCc2ccc(Br)c3cccnc23)no1
InChIInChI=1S/C15H14BrN3O/c1-10-7-12(19-20-10)9-17-8-11-4-5-14(16)13-3-2-6-18-15(11)13/h2-7,17H,8-9H2,1H3
InChIKeyAGTJURBQSBKVMI-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.58
Rot. Bonds4

About 1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine

1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine (PubChem CID 115959257) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
PubChem CID115959257
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
SMILESCc1cc(CNCc2ccc(Br)c3cccnc23)no1
InChIInChI=1S/C15H14BrN3O/c1-10-7-12(19-20-10)9-17-8-11-4-5-14(16)13-3-2-6-18-15(11)13/h2-7,17H,8-9H2,1H3
InChIKeyAGTJURBQSBKVMI-UHFFFAOYSA-N
XLogP3.58
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018
4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol
CID 115968064
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 115959206
N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine
CID 115968174
1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112617826
N-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115959209
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
CID 112617652
2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 112617830
N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 115959258
N-[(5-bromoquinolin-8-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 115968069

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine (CID 115959257) is 1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine is Cc1cc(CNCc2ccc(Br)c3cccnc23)no1.
What is the InChIKey of 1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?
The InChIKey is AGTJURBQSBKVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-10-7-12(19-20-10)9-17-8-11-4-5-14(16)13-3-2-6-18-15(11)13/h2-7,17H,8-9H2,1H3.
What are the key properties of 1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?
1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine has a molecular weight of 332.20 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine is sourced from PubChem (CID 115959257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).