N-ethyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine

C16H21N3OS — CID 62182139

IUPACN-ethyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine
SMILESCCNc1nc2ccccc2cc1CN1CCS(=O)CC1
InChIInChI=1S/C16H21N3OS/c1-2-17-16-14(12-19-7-9-21(20)10-8-19)11-13-5-3-4-6-15(13)18-16/h3-6,11H,2,7-10,12H2,1H3,(H,17,18)
InChIKeyQNUWESRZCCXQGJ-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.23
Rot. Bonds4

About N-ethyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine

N-ethyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine (PubChem CID 62182139) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-ethyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine
PubChem CID62182139
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-ethyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine
SMILESCCNc1nc2ccccc2cc1CN1CCS(=O)CC1
InChIInChI=1S/C16H21N3OS/c1-2-17-16-14(12-19-7-9-21(20)10-8-19)11-13-5-3-4-6-15(13)18-16/h3-6,11H,2,7-10,12H2,1H3,(H,17,18)
InChIKeyQNUWESRZCCXQGJ-UHFFFAOYSA-N
XLogP2.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine?
The IUPAC name of N-ethyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine (CID 62182139) is N-ethyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine.
What is the SMILES notation for N-ethyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine?
The canonical SMILES for N-ethyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine is CCNc1nc2ccccc2cc1CN1CCS(=O)CC1.
What is the InChIKey of N-ethyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine?
The InChIKey is QNUWESRZCCXQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-17-16-14(12-19-7-9-21(20)10-8-19)11-13-5-3-4-6-15(13)18-16/h3-6,11H,2,7-10,12H2,1H3,(H,17,18).
What are the key properties of N-ethyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine?
N-ethyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine has a molecular weight of 303.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine is sourced from PubChem (CID 62182139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).