1-(4-bromophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine

C19H16BrN5 — CID 174985661

IUPAC1-(4-bromophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine
SMILESBrc1ccc(CNCc2cn(-c3cnc4ccccc4c3)nn2)cc1
InChIInChI=1S/C19H16BrN5/c20-16-7-5-14(6-8-16)10-21-11-17-13-25(24-23-17)18-9-15-3-1-2-4-19(15)22-12-18/h1-9,12-13,21H,10-11H2
InChIKeyAQOPOCVUXAELMR-UHFFFAOYSA-N
MW394.28 g/mol
LogP3.87
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine

1-(4-bromophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine (PubChem CID 174985661) has the molecular formula C19H16BrN5 and a molecular weight of 394.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine
PubChem CID174985661
Molecular FormulaC19H16BrN5
Molecular Weight394.28 g/mol
Exact Mass393.06
IUPAC Name1-(4-bromophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine
SMILESBrc1ccc(CNCc2cn(-c3cnc4ccccc4c3)nn2)cc1
InChIInChI=1S/C19H16BrN5/c20-16-7-5-14(6-8-16)10-21-11-17-13-25(24-23-17)18-9-15-3-1-2-4-19(15)22-12-18/h1-9,12-13,21H,10-11H2
InChIKeyAQOPOCVUXAELMR-UHFFFAOYSA-N
XLogP3.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine
CID 174985617
1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine
CID 103398570
3-[(4-bromophenyl)methyl]quinoline
CID 67155836
2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine
CID 66206720
6-[4-(bromomethyl)triazol-1-yl]quinoline
CID 62634784
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
4-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]butan-1-amine
CID 104539055
2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine
CID 116641627
dimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane
CID 174915040
3-bromoquinoline;hydrobromide
CID 70190019
5-bromo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrimidin-2-amine
CID 138988368
N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide
CID 121195802

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine (CID 174985661) is 1-(4-bromophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine is Brc1ccc(CNCc2cn(-c3cnc4ccccc4c3)nn2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine?
The InChIKey is AQOPOCVUXAELMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5/c20-16-7-5-14(6-8-16)10-21-11-17-13-25(24-23-17)18-9-15-3-1-2-4-19(15)22-12-18/h1-9,12-13,21H,10-11H2.
What are the key properties of 1-(4-bromophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine?
1-(4-bromophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine has a molecular weight of 394.28 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 174985661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).