4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid

C15H15ClN2O3 — CID 115960550

IUPAC4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1Cc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H15ClN2O3/c16-12-4-3-10(14-11(12)2-1-5-17-14)8-18-6-7-21-9-13(18)15(19)20/h1-5,13H,6-9H2,(H,19,20)
InChIKeyQQTKEBYVCVSXIO-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.17
Rot. Bonds3

About 4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid

4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid (PubChem CID 115960550) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid
PubChem CID115960550
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1Cc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H15ClN2O3/c16-12-4-3-10(14-11(12)2-1-5-17-14)8-18-6-7-21-9-13(18)15(19)20/h1-5,13H,6-9H2,(H,19,20)
InChIKeyQQTKEBYVCVSXIO-UHFFFAOYSA-N
XLogP2.17
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide
CID 83096763
1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115960560
1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354702
(2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 95299069
4-[(4-chloro-2-methylphenyl)methyl]morpholine-3-carboxylic acid
CID 114076020
(2S,4S)-1-[(5-chloroquinolin-8-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128979983
1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 115960548
2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 60570856
2-[1-[(5-chloroquinolin-8-yl)methyl]azepan-4-yl]acetic acid
CID 120953605
(3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid
CID 91840072
4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83099400
2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 55827715

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid (CID 115960550) is 4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1Cc1ccc(Cl)c2cccnc12.
What is the InChIKey of 4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid?
The InChIKey is QQTKEBYVCVSXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-12-4-3-10(14-11(12)2-1-5-17-14)8-18-6-7-21-9-13(18)15(19)20/h1-5,13H,6-9H2,(H,19,20).
What are the key properties of 4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid?
4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 115960550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).