4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide

C22H22FN3O2 — CID 126426495

IUPAC4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide
SMILESCc1cc(-c2ccc(C(=O)NC[C@@H]3CNCCO3)cc2)nc2cc(F)ccc12
InChIInChI=1S/C22H22FN3O2/c1-14-10-20(26-21-11-17(23)6-7-19(14)21)15-2-4-16(5-3-15)22(27)25-13-18-12-24-8-9-28-18/h2-7,10-11,18,24H,8-9,12-13H2,1H3,(H,25,27)/t18-/m0/s1
InChIKeyAVOYHCXEZFXYHI-SFHVURJKSA-N
MW379.44 g/mol
LogP3.07
Rot. Bonds4

About 4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide

4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide (PubChem CID 126426495) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide
PubChem CID126426495
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide
SMILESCc1cc(-c2ccc(C(=O)NC[C@@H]3CNCCO3)cc2)nc2cc(F)ccc12
InChIInChI=1S/C22H22FN3O2/c1-14-10-20(26-21-11-17(23)6-7-19(14)21)15-2-4-16(5-3-15)22(27)25-13-18-12-24-8-9-28-18/h2-7,10-11,18,24H,8-9,12-13H2,1H3,(H,25,27)/t18-/m0/s1
InChIKeyAVOYHCXEZFXYHI-SFHVURJKSA-N
XLogP3.07
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 43603078
N-[[(2S)-morpholin-2-yl]methyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 126427910
2-bromo-5-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287115
N-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 126439822
N-(morpholin-2-ylmethyl)pyridazine-4-carboxamide
CID 104671734
4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 114028076
N-(morpholin-2-ylmethyl)pyrimidine-5-carboxamide
CID 102922356
3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 167869800
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzamide
CID 97180653
1,5-dimethyl-N-[[(2R)-morpholin-2-yl]methyl]pyrazole-3-carboxamide
CID 143160987
5-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287101

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide?
The IUPAC name of 4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide (CID 126426495) is 4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide?
The canonical SMILES for 4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide is Cc1cc(-c2ccc(C(=O)NC[C@@H]3CNCCO3)cc2)nc2cc(F)ccc12.
What is the InChIKey of 4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide?
The InChIKey is AVOYHCXEZFXYHI-SFHVURJKSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-14-10-20(26-21-11-17(23)6-7-19(14)21)15-2-4-16(5-3-15)22(27)25-13-18-12-24-8-9-28-18/h2-7,10-11,18,24H,8-9,12-13H2,1H3,(H,25,27)/t18-/m0/s1.
What are the key properties of 4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide?
4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide has a molecular weight of 379.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-4-methylquinolin-2-yl)-N-[[(2S)-morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 126426495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).