N-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide

C26H26FN5O4S — CID 140686795

IUPACN-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
SMILESCOc1ccc2ncc3c(c2c1F)CC(N1CCC(NC(=O)c2ccc4c(n2)NC(=O)CS4)CC1)CO3
InChIInChI=1S/C26H26FN5O4S/c1-35-19-4-2-17-23(24(19)27)16-10-15(12-36-20(16)11-28-17)32-8-6-14(7-9-32)29-26(34)18-3-5-21-25(30-18)31-22(33)13-37-21/h2-5,11,14-15H,6-10,12-13H2,1H3,(H,29,34)(H,30,31,33)
InChIKeySGKQVFJHGALZEQ-UHFFFAOYSA-N
MW523.59 g/mol
LogP3.02
Rot. Bonds4

About N-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide

N-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide (PubChem CID 140686795) has the molecular formula C26H26FN5O4S and a molecular weight of 523.59 g/mol. Its IUPAC name is N-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
PubChem CID140686795
Molecular FormulaC26H26FN5O4S
Molecular Weight523.59 g/mol
Exact Mass523.17
IUPAC NameN-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
SMILESCOc1ccc2ncc3c(c2c1F)CC(N1CCC(NC(=O)c2ccc4c(n2)NC(=O)CS4)CC1)CO3
InChIInChI=1S/C26H26FN5O4S/c1-35-19-4-2-17-23(24(19)27)16-10-15(12-36-20(16)11-28-17)32-8-6-14(7-9-32)29-26(34)18-3-5-21-25(30-18)31-22(33)13-37-21/h2-5,11,14-15H,6-10,12-13H2,1H3,(H,29,34)(H,30,31,33)
InChIKeySGKQVFJHGALZEQ-UHFFFAOYSA-N
XLogP3.02
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.59
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
The IUPAC name of N-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide (CID 140686795) is N-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide.
What is the SMILES notation for N-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
The canonical SMILES for N-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide is COc1ccc2ncc3c(c2c1F)CC(N1CCC(NC(=O)c2ccc4c(n2)NC(=O)CS4)CC1)CO3.
What is the InChIKey of N-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
The InChIKey is SGKQVFJHGALZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O4S/c1-35-19-4-2-17-23(24(19)27)16-10-15(12-36-20(16)11-28-17)32-8-6-14(7-9-32)29-26(34)18-3-5-21-25(30-18)31-22(33)13-37-21/h2-5,11,14-15H,6-10,12-13H2,1H3,(H,29,34)(H,30,31,33).
What are the key properties of N-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
N-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide has a molecular weight of 523.59 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide is sourced from PubChem (CID 140686795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).