(3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine

C15H16BrN5 — CID 114688819

IUPAC(3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1nc2ccccc2cc1Br
InChIInChI=1S/C15H16BrN5/c1-2-7-21-13(9-18-20-21)14(17)15-11(16)8-10-5-3-4-6-12(10)19-15/h3-6,8-9,14H,2,7,17H2,1H3
InChIKeyQMHQBRDFVZMWFK-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.05
Rot. Bonds4

About (3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine

(3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine (PubChem CID 114688819) has the molecular formula C15H16BrN5 and a molecular weight of 346.23 g/mol. Its IUPAC name is (3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine
PubChem CID114688819
Molecular FormulaC15H16BrN5
Molecular Weight346.23 g/mol
Exact Mass345.06
IUPAC Name(3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1nc2ccccc2cc1Br
InChIInChI=1S/C15H16BrN5/c1-2-7-21-13(9-18-20-21)14(17)15-11(16)8-10-5-3-4-6-12(10)19-15/h3-6,8-9,14H,2,7,17H2,1H3
InChIKeyQMHQBRDFVZMWFK-UHFFFAOYSA-N
XLogP3.05
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105257271
(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114686950
N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine
CID 114687701
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038562
(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038745
(2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114687630
2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone
CID 114691818
N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine
CID 114687541
furan-3-yl-(3-propyltriazol-4-yl)methanamine
CID 114687789
1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine
CID 105038767
(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688940

Frequently Asked Questions

What is the IUPAC name of (3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of (3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine (CID 114688819) is (3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for (3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(N)c1nc2ccccc2cc1Br.
What is the InChIKey of (3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine?
The InChIKey is QMHQBRDFVZMWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5/c1-2-7-21-13(9-18-20-21)14(17)15-11(16)8-10-5-3-4-6-12(10)19-15/h3-6,8-9,14H,2,7,17H2,1H3.
What are the key properties of (3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine?
(3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine has a molecular weight of 346.23 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 114688819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).