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

C25H21N5O4S — CID 53246015

IUPACN-[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
SMILESCOc1ccc2ncc3c(c2c1)CC(n1cc(NC(=O)c2ccc4c(c2)NC(=O)CS4)cn1)CO3
InChIInChI=1S/C25H21N5O4S/c1-33-17-3-4-20-18(8-17)19-7-16(12-34-22(19)10-26-20)30-11-15(9-27-30)28-25(32)14-2-5-23-21(6-14)29-24(31)13-35-23/h2-6,8-11,16H,7,12-13H2,1H3,(H,28,32)(H,29,31)
InChIKeyJFHBFAMFDXEEHU-UHFFFAOYSA-N
MW487.54 g/mol
LogP3.91
Rot. Bonds4

About 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

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 (PubChem CID 53246015) has the molecular formula C25H21N5O4S and a molecular weight of 487.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID53246015
Molecular FormulaC25H21N5O4S
Molecular Weight487.54 g/mol
Exact Mass487.13
IUPAC NameN-[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
SMILESCOc1ccc2ncc3c(c2c1)CC(n1cc(NC(=O)c2ccc4c(c2)NC(=O)CS4)cn1)CO3
InChIInChI=1S/C25H21N5O4S/c1-33-17-3-4-20-18(8-17)19-7-16(12-34-22(19)10-26-20)30-11-15(9-27-30)28-25(32)14-2-5-23-21(6-14)29-24(31)13-35-23/h2-6,8-11,16H,7,12-13H2,1H3,(H,28,32)(H,29,31)
InChIKeyJFHBFAMFDXEEHU-UHFFFAOYSA-N
XLogP3.91
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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
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
N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46798733
N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42009236
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-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55784088
N-[4-(4-methylphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7980632
N-[1-[3-(7-methoxyquinoxalin-2-yl)oxypropyl]azetidin-3-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46852072
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55879605
3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide
CID 26592395
N-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7922294

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2ncc3c(c2c1)CC(n1cc(NC(=O)c2ccc4c(c2)NC(=O)CS4)cn1)CO3.
What is the InChIKey of 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?
The InChIKey is JFHBFAMFDXEEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O4S/c1-33-17-3-4-20-18(8-17)19-7-16(12-34-22(19)10-26-20)30-11-15(9-27-30)28-25(32)14-2-5-23-21(6-14)29-24(31)13-35-23/h2-6,8-11,16H,7,12-13H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 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?
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 has a molecular weight of 487.54 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 53246015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).