N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine

C16H18N4 — CID 62636139

IUPACN-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine
SMILESCc1nn(C)c(C)c1CNc1ccc2ncccc2c1
InChIInChI=1S/C16H18N4/c1-11-15(12(2)20(3)19-11)10-18-14-6-7-16-13(9-14)5-4-8-17-16/h4-9,18H,10H2,1-3H3
InChIKeyXIEHGHYMYCTHAZ-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.20
Rot. Bonds3

About N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine (PubChem CID 62636139) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine.

Molecular Properties

Compound NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine
PubChem CID62636139
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine
SMILESCc1nn(C)c(C)c1CNc1ccc2ncccc2c1
InChIInChI=1S/C16H18N4/c1-11-15(12(2)20(3)19-11)10-18-14-6-7-16-13(9-14)5-4-8-17-16/h4-9,18H,10H2,1-3H3
InChIKeyXIEHGHYMYCTHAZ-UHFFFAOYSA-N
XLogP3.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine
CID 79042080
2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-4-amine
CID 80525912
1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105172407
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241
3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 28618675
N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-6-amine
CID 62743051
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
CID 79241762
2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110905723
N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide
CID 91762656
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 78995441
2-N,2-N-dimethyl-5-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 43690392
N-(furan-3-ylmethyl)quinolin-6-amine
CID 63204697

Frequently Asked Questions

What is the IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine?
The IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine (CID 62636139) is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine.
What is the SMILES notation for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine?
The canonical SMILES for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine is Cc1nn(C)c(C)c1CNc1ccc2ncccc2c1.
What is the InChIKey of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine?
The InChIKey is XIEHGHYMYCTHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-15(12(2)20(3)19-11)10-18-14-6-7-16-13(9-14)5-4-8-17-16/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine?
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine has a molecular weight of 266.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine is sourced from PubChem (CID 62636139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).