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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Related Compounds

N-cyclohexyl-N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]methanesulfonamide
CID 68723909
1-[5-(4-morpholin-4-ylquinazolin-6-yl)furan-2-yl]ethanol
CID 46916200
N-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide
CID 59406582
(4-morpholin-4-ylquinazolin-6-yl)boronic acid
CID 141302023
N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842372
N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842358
6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine
CID 130446899
N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide
CID 68942535
N-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 74396037
N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 25144672
4-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]benzoic acid
CID 39820555
4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
CID 22031719

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).