6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one

C28H32N4O3S — CID 86730703

IUPAC6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
SMILESCOc1ccc2ncc3c(c2c1)CC(CN1CCC(NCc2ccc4c(c2)NC(=O)CS4)CC1)CO3
InChIInChI=1S/C28H32N4O3S/c1-34-21-3-4-24-22(12-21)23-10-19(16-35-26(23)14-30-24)15-32-8-6-20(7-9-32)29-13-18-2-5-27-25(11-18)31-28(33)17-36-27/h2-5,11-12,14,19-20,29H,6-10,13,15-17H2,1H3,(H,31,33)
InChIKeyHHCDCLDYNXZJFT-UHFFFAOYSA-N
MW504.66 g/mol
LogP4.09
Rot. Bonds6

About 6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one

6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one (PubChem CID 86730703) has the molecular formula C28H32N4O3S and a molecular weight of 504.66 g/mol. Its IUPAC name is 6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
PubChem CID86730703
Molecular FormulaC28H32N4O3S
Molecular Weight504.66 g/mol
Exact Mass504.22
IUPAC Name6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
SMILESCOc1ccc2ncc3c(c2c1)CC(CN1CCC(NCc2ccc4c(c2)NC(=O)CS4)CC1)CO3
InChIInChI=1S/C28H32N4O3S/c1-34-21-3-4-24-22(12-21)23-10-19(16-35-26(23)14-30-24)15-32-8-6-20(7-9-32)29-13-18-2-5-27-25(11-18)31-28(33)17-36-27/h2-5,11-12,14,19-20,29H,6-10,13,15-17H2,1H3,(H,31,33)
InChIKeyHHCDCLDYNXZJFT-UHFFFAOYSA-N
XLogP4.09
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.66
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]-4-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]pyrrolidine-2-carboxylate
CID 71118984
N-[1-(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)pyrazol-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 53246015
6-[[[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 11948423
6-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-2-oxopiperidin-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 91351616
6-[[[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 59398425
7-fluoro-6-[[[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 59626865
ethane;7-fluoro-6-[[[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 143437106
6-[4-[9-[2-(1,3-dioxan-2-yl)ethoxy]-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl]cyclohexanecarbonyl]-4H-1,4-benzothiazin-3-one
CID 53246374
N-[1-[2-(7-methoxyquinoxalin-2-yl)oxypropyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 140640477
6-[[[3-(3-chloro-6-methoxyquinolin-4-yl)-3-hydroxy-1-piperidin-3-ylpropyl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 69400957
tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate
CID 86730705
N-(3-methoxyquinolin-5-yl)-3-[[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]methyl]cyclohexane-1-carboxamide
CID 58989629

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one (CID 86730703) is 6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one is COc1ccc2ncc3c(c2c1)CC(CN1CCC(NCc2ccc4c(c2)NC(=O)CS4)CC1)CO3.
What is the InChIKey of 6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is HHCDCLDYNXZJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3S/c1-34-21-3-4-24-22(12-21)23-10-19(16-35-26(23)14-30-24)15-32-8-6-20(7-9-32)29-13-18-2-5-27-25(11-18)31-28(33)17-36-27/h2-5,11-12,14,19-20,29H,6-10,13,15-17H2,1H3,(H,31,33).
What are the key properties of 6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one?
6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 504.66 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 86730703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).