3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid

C21H25N3O3 — CID 67443556

IUPAC3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid
SMILESCC1(C)Cc2cc(C(=O)O)ccc2NC1c1cncc(N2CCOCC2)c1
InChIInChI=1S/C21H25N3O3/c1-21(2)11-15-9-14(20(25)26)3-4-18(15)23-19(21)16-10-17(13-22-12-16)24-5-7-27-8-6-24/h3-4,9-10,12-13,19,23H,5-8,11H2,1-2H3,(H,25,26)
InChIKeyRQDBGRSWKYICEU-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.35
Rot. Bonds3

About 3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid

3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid (PubChem CID 67443556) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid
PubChem CID67443556
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid
SMILESCC1(C)Cc2cc(C(=O)O)ccc2NC1c1cncc(N2CCOCC2)c1
InChIInChI=1S/C21H25N3O3/c1-21(2)11-15-9-14(20(25)26)3-4-18(15)23-19(21)16-10-17(13-22-12-16)24-5-7-27-8-6-24/h3-4,9-10,12-13,19,23H,5-8,11H2,1-2H3,(H,25,26)
InChIKeyRQDBGRSWKYICEU-UHFFFAOYSA-N
XLogP3.35
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The IUPAC name of 3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid (CID 67443556) is 3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid is CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cncc(N2CCOCC2)c1.
What is the InChIKey of 3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The InChIKey is RQDBGRSWKYICEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-21(2)11-15-9-14(20(25)26)3-4-18(15)23-19(21)16-10-17(13-22-12-16)24-5-7-27-8-6-24/h3-4,9-10,12-13,19,23H,5-8,11H2,1-2H3,(H,25,26).
What are the key properties of 3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid?
3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 67443556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).