N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine

C16H17BrN4 — CID 81426624

IUPACN-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine
SMILESCc1nn(C)c(CNCc2cccc3cccnc23)c1Br
InChIInChI=1S/C16H17BrN4/c1-11-15(17)14(21(2)20-11)10-18-9-13-6-3-5-12-7-4-8-19-16(12)13/h3-8,18H,9-10H2,1-2H3
InChIKeyCVLDLALNQDMYIG-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.33
Rot. Bonds4

About N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine

N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine (PubChem CID 81426624) has the molecular formula C16H17BrN4 and a molecular weight of 345.24 g/mol. Its IUPAC name is N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound NameN-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine
PubChem CID81426624
Molecular FormulaC16H17BrN4
Molecular Weight345.24 g/mol
Exact Mass344.06
IUPAC NameN-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine
SMILESCc1nn(C)c(CNCc2cccc3cccnc23)c1Br
InChIInChI=1S/C16H17BrN4/c1-11-15(17)14(21(2)20-11)10-18-9-13-6-3-5-12-7-4-8-19-16(12)13/h3-8,18H,9-10H2,1-2H3
InChIKeyCVLDLALNQDMYIG-UHFFFAOYSA-N
XLogP3.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79749615
2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47017959
5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine
CID 78953418
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
1-(furan-3-yl)-N-(quinolin-8-ylmethyl)methanamine
CID 113224554
N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine
CID 78921379
N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine
CID 81428748
6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine
CID 107845431
(2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 97065144
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine
CID 78978768

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine?
The IUPAC name of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine (CID 81426624) is N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine.
What is the SMILES notation for N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine?
The canonical SMILES for N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine is Cc1nn(C)c(CNCc2cccc3cccnc23)c1Br.
What is the InChIKey of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine?
The InChIKey is CVLDLALNQDMYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4/c1-11-15(17)14(21(2)20-11)10-18-9-13-6-3-5-12-7-4-8-19-16(12)13/h3-8,18H,9-10H2,1-2H3.
What are the key properties of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine?
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine has a molecular weight of 345.24 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 81426624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).