(1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone

C22H29N3O4S — CID 11539264

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(OCCCN3CCCCC3)ccc2n1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C22H29N3O4S/c26-22(25-12-15-30(27,28)16-13-25)21-7-5-18-17-19(6-8-20(18)23-21)29-14-4-11-24-9-2-1-3-10-24/h5-8,17H,1-4,9-16H2
InChIKeyCLUBJVKKZQRHSN-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.36
Rot. Bonds6

About (1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone (PubChem CID 11539264) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
PubChem CID11539264
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(OCCCN3CCCCC3)ccc2n1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C22H29N3O4S/c26-22(25-12-15-30(27,28)16-13-25)21-7-5-18-17-19(6-8-20(18)23-21)29-14-4-11-24-9-2-1-3-10-24/h5-8,17H,1-4,9-16H2
InChIKeyCLUBJVKKZQRHSN-UHFFFAOYSA-N
XLogP2.36
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

morpholin-4-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
CID 11516523
3,6-bis(4-piperidin-1-ylbutoxy)acridine
CID 20553482
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
[4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone
CID 10005692
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100
N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070873
(4-methylpiperidin-1-yl)-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone
CID 67012303
[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl] N-[(3-fluorooxetan-3-yl)methyl]carbamate
CID 67317517
2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride
CID 122585506
[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
CID 69068726
7-(3-pyrrolidin-1-ylpropoxy)naphthalene-2-sulfonic acid
CID 86718873
2,3,7,8-tetrakis[4-(4-piperidin-1-ylbutoxy)phenyl]pyrazino[2,3-g]quinoxaline
CID 163198870

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone (CID 11539264) is (1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone is O=C(c1ccc2cc(OCCCN3CCCCC3)ccc2n1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
The InChIKey is CLUBJVKKZQRHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c26-22(25-12-15-30(27,28)16-13-25)21-7-5-18-17-19(6-8-20(18)23-21)29-14-4-11-24-9-2-1-3-10-24/h5-8,17H,1-4,9-16H2.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone has a molecular weight of 431.56 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone is sourced from PubChem (CID 11539264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).