N-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine

C16H18N4 — CID 133405681

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine
SMILESCc1cccc2c(NCc3cnn(C)c3C)ccnc12
InChIInChI=1S/C16H18N4/c1-11-5-4-6-14-15(7-8-17-16(11)14)18-9-13-10-19-20(3)12(13)2/h4-8,10H,9H2,1-3H3,(H,17,18)
InChIKeyIRWYINDGUXSOSZ-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.20
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine (PubChem CID 133405681) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine
PubChem CID133405681
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine
SMILESCc1cccc2c(NCc3cnn(C)c3C)ccnc12
InChIInChI=1S/C16H18N4/c1-11-5-4-6-14-15(7-8-17-16(11)14)18-9-13-10-19-20(3)12(13)2/h4-8,10H,9H2,1-3H3,(H,17,18)
InChIKeyIRWYINDGUXSOSZ-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

N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine
CID 103858286
8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
CID 133368699
8-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]quinolin-4-amine
CID 166198008
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-iodo-2-methylaniline
CID 113368513
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79579238
8-methyl-N-[(3-methyltriazol-4-yl)methyl]quinolin-5-amine
CID 115743584
1-(2,3-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103859223
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79578705
8-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133388769
N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine
CID 43731505
N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide
CID 133388801
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline
CID 79578562

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine (CID 133405681) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine is Cc1cccc2c(NCc3cnn(C)c3C)ccnc12.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine?
The InChIKey is IRWYINDGUXSOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-5-4-6-14-15(7-8-17-16(11)14)18-9-13-10-19-20(3)12(13)2/h4-8,10H,9H2,1-3H3,(H,17,18).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-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-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine is sourced from PubChem (CID 133405681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).