N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide

C20H23N5O2S — CID 59406583

IUPACN-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide
SMILESCC(C)S(=O)Nc1cncc(-c2ccc3ncnc(N4CCOCC4)c3c2)c1
InChIInChI=1S/C20H23N5O2S/c1-14(2)28(26)24-17-9-16(11-21-12-17)15-3-4-19-18(10-15)20(23-13-22-19)25-5-7-27-8-6-25/h3-4,9-14,24H,5-8H2,1-2H3
InChIKeyBSWIENIBJBBIBM-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.01
Rot. Bonds5

About N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide

N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide (PubChem CID 59406583) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide.

Molecular Properties

Compound NameN-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide
PubChem CID59406583
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC NameN-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide
SMILESCC(C)S(=O)Nc1cncc(-c2ccc3ncnc(N4CCOCC4)c3c2)c1
InChIInChI=1S/C20H23N5O2S/c1-14(2)28(26)24-17-9-16(11-21-12-17)15-3-4-19-18(10-15)20(23-13-22-19)25-5-7-27-8-6-25/h3-4,9-14,24H,5-8H2,1-2H3
InChIKeyBSWIENIBJBBIBM-UHFFFAOYSA-N
XLogP3.01
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide?
The IUPAC name of N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide (CID 59406583) is N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide.
What is the SMILES notation for N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide?
The canonical SMILES for N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide is CC(C)S(=O)Nc1cncc(-c2ccc3ncnc(N4CCOCC4)c3c2)c1.
What is the InChIKey of N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide?
The InChIKey is BSWIENIBJBBIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-14(2)28(26)24-17-9-16(11-21-12-17)15-3-4-19-18(10-15)20(23-13-22-19)25-5-7-27-8-6-25/h3-4,9-14,24H,5-8H2,1-2H3.
What are the key properties of N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide?
N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide has a molecular weight of 397.50 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide is sourced from PubChem (CID 59406583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).