4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid

C15H19N3O6S — CID 112532073

IUPAC4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid
SMILESCS(=O)(=O)N1CCc2c(cncc2C(=O)N2CCOCC2C(=O)O)C1
InChIInChI=1S/C15H19N3O6S/c1-25(22,23)17-3-2-11-10(8-17)6-16-7-12(11)14(19)18-4-5-24-9-13(18)15(20)21/h6-7,13H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyMYWZFLQUPVQXCS-UHFFFAOYSA-N
MW369.40 g/mol
LogP-0.68
Rot. Bonds3

About 4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid

4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid (PubChem CID 112532073) has the molecular formula C15H19N3O6S and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid
PubChem CID112532073
Molecular FormulaC15H19N3O6S
Molecular Weight369.40 g/mol
Exact Mass369.10
IUPAC Name4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid
SMILESCS(=O)(=O)N1CCc2c(cncc2C(=O)N2CCOCC2C(=O)O)C1
InChIInChI=1S/C15H19N3O6S/c1-25(22,23)17-3-2-11-10(8-17)6-16-7-12(11)14(19)18-4-5-24-9-13(18)15(20)21/h6-7,13H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyMYWZFLQUPVQXCS-UHFFFAOYSA-N
XLogP-0.68
TPSA117.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid with MolForge

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone
CID 112531750
N-(2-methylpropyl)-7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112520050
4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 114036870
(3S)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholine-3-carboxylic acid
CID 125118663
7-methylsulfonyl-N-pyrrolidin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112530801
4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 66462467
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
4-(3-bromopyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 120521701
[3-(hydroxymethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methanone
CID 112531976
4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid
CID 119216310
4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid
CID 113439193
4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
CID 122146528

Frequently Asked Questions

What is the IUPAC name of 4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid (CID 112532073) is 4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid is CS(=O)(=O)N1CCc2c(cncc2C(=O)N2CCOCC2C(=O)O)C1.
What is the InChIKey of 4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is MYWZFLQUPVQXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6S/c1-25(22,23)17-3-2-11-10(8-17)6-16-7-12(11)14(19)18-4-5-24-9-13(18)15(20)21/h6-7,13H,2-5,8-9H2,1H3,(H,20,21).
What are the key properties of 4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid?
4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 369.40 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 112532073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).