(2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine

C17H19FN4 — CID 95608969

IUPAC(2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
SMILESCc1cnn(C[C@H](C)NCc2ccc(F)c3cccnc23)c1
InChIInChI=1S/C17H19FN4/c1-12-8-21-22(10-12)11-13(2)20-9-14-5-6-16(18)15-4-3-7-19-17(14)15/h3-8,10,13,20H,9,11H2,1-2H3/t13-/m0/s1
InChIKeySLBPCKLROUSDRY-ZDUSSCGKSA-N
MW298.37 g/mol
LogP3.06
Rot. Bonds5

About (2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine

(2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine (PubChem CID 95608969) has the molecular formula C17H19FN4 and a molecular weight of 298.37 g/mol. Its IUPAC name is (2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
PubChem CID95608969
Molecular FormulaC17H19FN4
Molecular Weight298.37 g/mol
Exact Mass298.16
IUPAC Name(2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
SMILESCc1cnn(C[C@H](C)NCc2ccc(F)c3cccnc23)c1
InChIInChI=1S/C17H19FN4/c1-12-8-21-22(10-12)11-13(2)20-9-14-5-6-16(18)15-4-3-7-19-17(14)15/h3-8,10,13,20H,9,11H2,1-2H3/t13-/m0/s1
InChIKeySLBPCKLROUSDRY-ZDUSSCGKSA-N
XLogP3.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-[[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]methyl]benzonitrile
CID 95295576
(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 95289221
(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 95293127
2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide
CID 95750431
(2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290591
(2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95287009
(2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine
CID 95757700
N-[[1-[(5-fluoroquinolin-8-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194468
2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile
CID 95292896
(2S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 164630072
(2S)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95750404
(2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95292873

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The IUPAC name of (2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine (CID 95608969) is (2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine is Cc1cnn(C[C@H](C)NCc2ccc(F)c3cccnc23)c1.
What is the InChIKey of (2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The InChIKey is SLBPCKLROUSDRY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19FN4/c1-12-8-21-22(10-12)11-13(2)20-9-14-5-6-16(18)15-4-3-7-19-17(14)15/h3-8,10,13,20H,9,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
(2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine has a molecular weight of 298.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 95608969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).