[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone

C21H24FN5O2 — CID 155504675

IUPAC[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone
SMILESCN(C)C[C@@H]1OCCN(C(=O)c2ccc3cccc(F)c3n2)[C@H]1c1cnn(C)c1
InChIInChI=1S/C21H24FN5O2/c1-25(2)13-18-20(15-11-23-26(3)12-15)27(9-10-29-18)21(28)17-8-7-14-5-4-6-16(22)19(14)24-17/h4-8,11-12,18,20H,9-10,13H2,1-3H3/t18-,20-/m0/s1
InChIKeyIEEWBAHMCFQFSK-ICSRJNTNSA-N
MW397.45 g/mol
LogP2.25
Rot. Bonds4

About [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone

[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone (PubChem CID 155504675) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone.

Molecular Properties

Compound Name[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone
PubChem CID155504675
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC Name[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone
SMILESCN(C)C[C@@H]1OCCN(C(=O)c2ccc3cccc(F)c3n2)[C@H]1c1cnn(C)c1
InChIInChI=1S/C21H24FN5O2/c1-25(2)13-18-20(15-11-23-26(3)12-15)27(9-10-29-18)21(28)17-8-7-14-5-4-6-16(22)19(14)24-17/h4-8,11-12,18,20H,9-10,13H2,1-3H3/t18-,20-/m0/s1
InChIKeyIEEWBAHMCFQFSK-ICSRJNTNSA-N
XLogP2.25
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 155494473
1-benzothiophen-2-yl-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 155501916
1,3-dihydro-2-benzofuran-4-yl-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 157015556
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone
CID 155496283
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 155504668
(2-chloro-5-methylphenyl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 155508291
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone
CID 155495084
2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]chromen-4-one
CID 155508575
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-hydroxyphenyl)ethanone
CID 155499685
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 155503654
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(1-methylindol-3-yl)ethanone
CID 155496329
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(3-methoxyphenyl)ethanone
CID 155508976

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone?
The IUPAC name of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone (CID 155504675) is [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone.
What is the SMILES notation for [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone?
The canonical SMILES for [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone is CN(C)C[C@@H]1OCCN(C(=O)c2ccc3cccc(F)c3n2)[C@H]1c1cnn(C)c1.
What is the InChIKey of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone?
The InChIKey is IEEWBAHMCFQFSK-ICSRJNTNSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-25(2)13-18-20(15-11-23-26(3)12-15)27(9-10-29-18)21(28)17-8-7-14-5-4-6-16(22)19(14)24-17/h4-8,11-12,18,20H,9-10,13H2,1-3H3/t18-,20-/m0/s1.
What are the key properties of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone?
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone has a molecular weight of 397.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone is sourced from PubChem (CID 155504675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).