N-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide

C19H22N2O4S — CID 99780999

IUPACN-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c2ccccc2n1
InChIInChI=1S/C19H22N2O4S/c1-13-10-16(15-4-2-3-5-17(15)20-13)18(22)21-14-6-8-25-19(11-14)7-9-26(23,24)12-19/h2-5,10,14H,6-9,11-12H2,1H3,(H,21,22)/t14-,19+/m1/s1
InChIKeyDXWLJJMXWMRVGX-KUHUBIRLSA-N
MW374.46 g/mol
LogP2.01
Rot. Bonds2

About N-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide

N-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide (PubChem CID 99780999) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide
PubChem CID99780999
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c2ccccc2n1
InChIInChI=1S/C19H22N2O4S/c1-13-10-16(15-4-2-3-5-17(15)20-13)18(22)21-14-6-8-25-19(11-14)7-9-26(23,24)12-19/h2-5,10,14H,6-9,11-12H2,1H3,(H,21,22)/t14-,19+/m1/s1
InChIKeyDXWLJJMXWMRVGX-KUHUBIRLSA-N
XLogP2.01
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide (CID 99780999) is N-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c2ccccc2n1.
What is the InChIKey of N-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide?
The InChIKey is DXWLJJMXWMRVGX-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-10-16(15-4-2-3-5-17(15)20-13)18(22)21-14-6-8-25-19(11-14)7-9-26(23,24)12-19/h2-5,10,14H,6-9,11-12H2,1H3,(H,21,22)/t14-,19+/m1/s1.
What are the key properties of N-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide?
N-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 99780999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).