N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine

C20H22N4O2S — CID 166192855

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine
SMILESO=S1(=O)CCN(CCNc2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C20H22N4O2S/c25-27(26)14-12-24(13-15-27)11-10-21-20-17-8-4-5-9-18(17)22-19(23-20)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,22,23)
InChIKeyYHQOVNWFNQMILU-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.44
Rot. Bonds5

About N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine (PubChem CID 166192855) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine
PubChem CID166192855
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine
SMILESO=S1(=O)CCN(CCNc2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C20H22N4O2S/c25-27(26)14-12-24(13-15-27)11-10-21-20-17-8-4-5-9-18(17)22-19(23-20)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,22,23)
InChIKeyYHQOVNWFNQMILU-UHFFFAOYSA-N
XLogP2.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine (CID 166192855) is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine is O=S1(=O)CCN(CCNc2nc(-c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine?
The InChIKey is YHQOVNWFNQMILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-27(26)14-12-24(13-15-27)11-10-21-20-17-8-4-5-9-18(17)22-19(23-20)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,22,23).
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine?
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine has a molecular weight of 382.49 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine is sourced from PubChem (CID 166192855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).