(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine

C18H22N4 — CID 95289221

IUPAC(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
SMILESCc1cnn(C[C@H](C)NCc2cc(C)nc3ccccc23)c1
InChIInChI=1S/C18H22N4/c1-13-9-20-22(11-13)12-15(3)19-10-16-8-14(2)21-18-7-5-4-6-17(16)18/h4-9,11,15,19H,10,12H2,1-3H3/t15-/m0/s1
InChIKeyLSONLYQVECOULW-HNNXBMFYSA-N
MW294.40 g/mol
LogP3.23
Rot. Bonds5

About (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine

(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine (PubChem CID 95289221) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
PubChem CID95289221
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
SMILESCc1cnn(C[C@H](C)NCc2cc(C)nc3ccccc23)c1
InChIInChI=1S/C18H22N4/c1-13-9-20-22(11-13)12-15(3)19-10-16-8-14(2)21-18-7-5-4-6-17(16)18/h4-9,11,15,19H,10,12H2,1-3H3/t15-/m0/s1
InChIKeyLSONLYQVECOULW-HNNXBMFYSA-N
XLogP3.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine with MolForge

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Related Compounds

N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78943040
(2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine
CID 95757700
1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943044
5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine
CID 78942763
(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 95293127
3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol
CID 78998387
(2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95608969
(2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290591
N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine
CID 62294566
2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
CID 78942769
1-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943029
(2S)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95750404

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine?
The IUPAC name of (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine (CID 95289221) is (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine?
The canonical SMILES for (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine is Cc1cnn(C[C@H](C)NCc2cc(C)nc3ccccc23)c1.
What is the InChIKey of (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine?
The InChIKey is LSONLYQVECOULW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4/c1-13-9-20-22(11-13)12-15(3)19-10-16-8-14(2)21-18-7-5-4-6-17(16)18/h4-9,11,15,19H,10,12H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine?
(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine has a molecular weight of 294.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 95289221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).