N-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine

C16H17BrN4 — CID 115959057

IUPACN-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1ccc(Br)c2cccnc12
InChIInChI=1S/C16H17BrN4/c1-10-15(11(2)21(3)20-10)19-9-12-6-7-14(17)13-5-4-8-18-16(12)13/h4-8,19H,9H2,1-3H3
InChIKeyTXHLEVLQBJJMCS-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.96
Rot. Bonds3

About N-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine

N-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine (PubChem CID 115959057) has the molecular formula C16H17BrN4 and a molecular weight of 345.24 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine
PubChem CID115959057
Molecular FormulaC16H17BrN4
Molecular Weight345.24 g/mol
Exact Mass344.06
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1ccc(Br)c2cccnc12
InChIInChI=1S/C16H17BrN4/c1-10-15(11(2)21(3)20-10)19-9-12-6-7-14(17)13-5-4-8-18-16(12)13/h4-8,19H,9H2,1-3H3
InChIKeyTXHLEVLQBJJMCS-UHFFFAOYSA-N
XLogP3.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-6-fluoroaniline
CID 107598155
4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline
CID 115958989
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
CID 112617652
N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115958992
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
4-[(5-bromoquinolin-8-yl)methylamino]phenol
CID 115959175
1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112617826
N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 113355941
2-[(5-bromoquinolin-8-yl)methyl]-5-methylpyrazol-3-amine
CID 112617853
N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 115959416
N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine
CID 115968174
3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol
CID 115968214

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine (CID 115959057) is N-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine is Cc1nn(C)c(C)c1NCc1ccc(Br)c2cccnc12.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is TXHLEVLQBJJMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4/c1-10-15(11(2)21(3)20-10)19-9-12-6-7-14(17)13-5-4-8-18-16(12)13/h4-8,19H,9H2,1-3H3.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine?
N-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 345.24 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 115959057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).