4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid

C16H20ClNO6 — CID 119239798

IUPAC4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid
SMILESCCCOc1c(Cl)cc(C(=O)N2CCOC(C(=O)O)C2)cc1OC
InChIInChI=1S/C16H20ClNO6/c1-3-5-24-14-11(17)7-10(8-12(14)22-2)15(19)18-4-6-23-13(9-18)16(20)21/h7-8,13H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyDVAMWFSEPVERHY-UHFFFAOYSA-N
MW357.79 g/mol
LogP2.06
Rot. Bonds6

About 4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid

4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid (PubChem CID 119239798) has the molecular formula C16H20ClNO6 and a molecular weight of 357.79 g/mol. Its IUPAC name is 4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid
PubChem CID119239798
Molecular FormulaC16H20ClNO6
Molecular Weight357.79 g/mol
Exact Mass357.10
IUPAC Name4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid
SMILESCCCOc1c(Cl)cc(C(=O)N2CCOC(C(=O)O)C2)cc1OC
InChIInChI=1S/C16H20ClNO6/c1-3-5-24-14-11(17)7-10(8-12(14)22-2)15(19)18-4-6-23-13(9-18)16(20)21/h7-8,13H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyDVAMWFSEPVERHY-UHFFFAOYSA-N
XLogP2.06
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]morpholine-2-carboxylic acid
CID 129468827
(2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid
CID 129466116
(3R,4R)-1-(3-chloro-5-methoxy-4-propoxybenzoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979083
1-(4-butoxy-3-chloro-5-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119227
1-(3-chloro-4-ethoxy-5-methoxybenzoyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 167837907
(3S)-1-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113678
(3-chloro-5-methoxy-4-propoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120998089
2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid
CID 119247780
(3S)-1-[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]piperidine-3-carboxylic acid
CID 119113443
(3S,4S)-1-(3-chloro-5-ethoxy-4-propoxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952644
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-chloro-5-methoxy-4-propoxyphenyl)methanone;hydrochloride
CID 120815276
4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid
CID 119239104

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid (CID 119239798) is 4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid is CCCOc1c(Cl)cc(C(=O)N2CCOC(C(=O)O)C2)cc1OC.
What is the InChIKey of 4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid?
The InChIKey is DVAMWFSEPVERHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO6/c1-3-5-24-14-11(17)7-10(8-12(14)22-2)15(19)18-4-6-23-13(9-18)16(20)21/h7-8,13H,3-6,9H2,1-2H3,(H,20,21).
What are the key properties of 4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid?
4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid has a molecular weight of 357.79 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).