2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one

C19H21ClN2O2 — CID 110309794

IUPAC2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one
SMILESCC1COCCN1C(=O)C(Cc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14-13-24-11-10-22(14)19(23)18(12-15-6-8-21-9-7-15)16-2-4-17(20)5-3-16/h2-9,14,18H,10-13H2,1H3
InChIKeyKMRLUHQULDVXBD-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.31
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one

2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one (PubChem CID 110309794) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one
PubChem CID110309794
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one
SMILESCC1COCCN1C(=O)C(Cc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14-13-24-11-10-22(14)19(23)18(12-15-6-8-21-9-7-15)16-2-4-17(20)5-3-16/h2-9,14,18H,10-13H2,1H3
InChIKeyKMRLUHQULDVXBD-UHFFFAOYSA-N
XLogP3.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one
CID 110309789
1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
CID 110407270
2-amino-3-(4-hydroxyphenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 106774255
3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
CID 113428295
N-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide
CID 124729956
2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
CID 111432313
2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 110355487
2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide
CID 110296865
(2S)-2-(4-chlorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid
CID 66845289
2-(4-chlorophenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110352615
2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid
CID 79019511
2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110352861

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one (CID 110309794) is 2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one is CC1COCCN1C(=O)C(Cc1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one?
The InChIKey is KMRLUHQULDVXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14-13-24-11-10-22(14)19(23)18(12-15-6-8-21-9-7-15)16-2-4-17(20)5-3-16/h2-9,14,18H,10-13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one?
2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one has a molecular weight of 344.84 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 110309794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).