N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine

C16H17ClN4 — CID 103909212

IUPACN-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H17ClN4/c1-3-14-15(10-21(2)20-14)19-9-11-6-7-13(17)12-5-4-8-18-16(11)12/h4-8,10,19H,3,9H2,1-2H3
InChIKeyWFCGGFYVBKHAOM-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.80
Rot. Bonds4

About N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine

N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 103909212) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine
PubChem CID103909212
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H17ClN4/c1-3-14-15(10-21(2)20-14)19-9-11-6-7-13(17)12-5-4-8-18-16(11)12/h4-8,10,19H,3,9H2,1-2H3
InChIKeyWFCGGFYVBKHAOM-UHFFFAOYSA-N
XLogP3.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909171
3-ethyl-1-methyl-N-[(1-methylindol-3-yl)methyl]pyrazol-4-amine
CID 107462367
4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline
CID 115959103
N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline
CID 115959079
N-[(5-chloro-2-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909085
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine
CID 91661943
8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine
CID 63445925
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine
CID 116783860
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid
CID 114198834

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine (CID 103909212) is N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)cc1NCc1ccc(Cl)c2cccnc12.
What is the InChIKey of N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is WFCGGFYVBKHAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-3-14-15(10-21(2)20-14)19-9-11-6-7-13(17)12-5-4-8-18-16(11)12/h4-8,10,19H,3,9H2,1-2H3.
What are the key properties of N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine?
N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 300.79 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 103909212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).