(4R)-4-(morpholin-4-ylmethyl)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine

C24H27N3O4S — CID 71277445

IUPAC(4R)-4-(morpholin-4-ylmethyl)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
SMILESO=S(=O)(c1cccc2cccnc12)N1Cc2ccccc2COC[C@H]1CN1CCOCC1
InChIInChI=1S/C24H27N3O4S/c28-32(29,23-9-3-7-19-8-4-10-25-24(19)23)27-15-20-5-1-2-6-21(20)17-31-18-22(27)16-26-11-13-30-14-12-26/h1-10,22H,11-18H2/t22-/m1/s1
InChIKeyHKTAOLFVLOYKDL-JOCHJYFZSA-N
MW453.56 g/mol
LogP2.66
Rot. Bonds4

About (4R)-4-(morpholin-4-ylmethyl)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine

(4R)-4-(morpholin-4-ylmethyl)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine (PubChem CID 71277445) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is (4R)-4-(morpholin-4-ylmethyl)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine.

Molecular Properties

Compound Name(4R)-4-(morpholin-4-ylmethyl)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
PubChem CID71277445
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name(4R)-4-(morpholin-4-ylmethyl)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
SMILESO=S(=O)(c1cccc2cccnc12)N1Cc2ccccc2COC[C@H]1CN1CCOCC1
InChIInChI=1S/C24H27N3O4S/c28-32(29,23-9-3-7-19-8-4-10-25-24(19)23)27-15-20-5-1-2-6-21(20)17-31-18-22(27)16-26-11-13-30-14-12-26/h1-10,22H,11-18H2/t22-/m1/s1
InChIKeyHKTAOLFVLOYKDL-JOCHJYFZSA-N
XLogP2.66
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4R)-4-(morpholin-4-ylmethyl)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[(4R)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-4-yl]acetate
CID 71277448
5-quinolin-8-ylsulfonyl-4-(2H-tetrazol-5-ylmethyl)-1,3,4,6-tetrahydro-2,5-benzoxazocine
CID 71269391
3-benzyl-2-quinolin-8-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepin-4-ol
CID 78110887
(3R,4R)-3-benzyl-4-methoxy-2-quinolin-8-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine
CID 71557114
(4R)-4-benzyl-2-methyl-5-quinolin-8-ylsulfonyl-4,6-dihydro-1H-2,5-benzodiazocin-3-one
CID 71269001
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline
CID 20930309
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764
N-[[4-[(4R,5S,6S)-4-[4-(hydroxymethyl)phenyl]-6-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-5-phenyl-1,3-dioxan-2-yl]phenyl]methyl]quinoline-8-sulfonamide
CID 6681098
8-piperidin-1-ylsulfonylquinoline
CID 768759
8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline
CID 90567332
4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 3826075

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(morpholin-4-ylmethyl)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine?
The IUPAC name of (4R)-4-(morpholin-4-ylmethyl)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine (CID 71277445) is (4R)-4-(morpholin-4-ylmethyl)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine.
What is the SMILES notation for (4R)-4-(morpholin-4-ylmethyl)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine?
The canonical SMILES for (4R)-4-(morpholin-4-ylmethyl)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine is O=S(=O)(c1cccc2cccnc12)N1Cc2ccccc2COC[C@H]1CN1CCOCC1.
What is the InChIKey of (4R)-4-(morpholin-4-ylmethyl)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine?
The InChIKey is HKTAOLFVLOYKDL-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H27N3O4S/c28-32(29,23-9-3-7-19-8-4-10-25-24(19)23)27-15-20-5-1-2-6-21(20)17-31-18-22(27)16-26-11-13-30-14-12-26/h1-10,22H,11-18H2/t22-/m1/s1.
What are the key properties of (4R)-4-(morpholin-4-ylmethyl)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine?
(4R)-4-(morpholin-4-ylmethyl)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine has a molecular weight of 453.56 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(morpholin-4-ylmethyl)-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine is sourced from PubChem (CID 71277445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).