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

C26H28FN5O3S — CID 140686808

IUPACN-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
SMILESCOc1ccc2ncc3c(c2c1F)CC(N1CCC(NC(=O)c2ccc4c(n2)NCCS4)CC1)CO3
InChIInChI=1S/C26H28FN5O3S/c1-34-20-4-2-18-23(24(20)27)17-12-16(14-35-21(17)13-29-18)32-9-6-15(7-10-32)30-26(33)19-3-5-22-25(31-19)28-8-11-36-22/h2-5,13,15-16H,6-12,14H2,1H3,(H,28,31)(H,30,33)
InChIKeyOHGWXNBADFCMGC-UHFFFAOYSA-N
MW509.61 g/mol
LogP3.49
Rot. Bonds4

About N-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3,4-dihydro-2H-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]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carboxamide (PubChem CID 140686808) has the molecular formula C26H28FN5O3S and a molecular weight of 509.61 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]-3,4-dihydro-2H-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]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
PubChem CID140686808
Molecular FormulaC26H28FN5O3S
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC NameN-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
SMILESCOc1ccc2ncc3c(c2c1F)CC(N1CCC(NC(=O)c2ccc4c(n2)NCCS4)CC1)CO3
InChIInChI=1S/C26H28FN5O3S/c1-34-20-4-2-18-23(24(20)27)17-12-16(14-35-21(17)13-29-18)32-9-6-15(7-10-32)30-26(33)19-3-5-22-25(31-19)28-8-11-36-22/h2-5,13,15-16H,6-12,14H2,1H3,(H,28,31)(H,30,33)
InChIKeyOHGWXNBADFCMGC-UHFFFAOYSA-N
XLogP3.49
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 53.49
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]-3,4-dihydro-2H-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]-3,4-dihydro-2H-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]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carboxamide (CID 140686808) is N-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3,4-dihydro-2H-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]-3,4-dihydro-2H-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]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carboxamide is COc1ccc2ncc3c(c2c1F)CC(N1CCC(NC(=O)c2ccc4c(n2)NCCS4)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]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
The InChIKey is OHGWXNBADFCMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3S/c1-34-20-4-2-18-23(24(20)27)17-12-16(14-35-21(17)13-29-18)32-9-6-15(7-10-32)30-26(33)19-3-5-22-25(31-19)28-8-11-36-22/h2-5,13,15-16H,6-12,14H2,1H3,(H,28,31)(H,30,33).
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]-3,4-dihydro-2H-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]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 3.49, 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]-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carboxamide is sourced from PubChem (CID 140686808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).