N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

C19H27N5O3S — CID 142582696

IUPACN-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2ncnc3ccc(N4CCOCC4)cc23)C1
InChIInChI=1S/C19H27N5O3S/c1-28(25,26)22-12-15-3-2-6-24(13-15)19-17-11-16(23-7-9-27-10-8-23)4-5-18(17)20-14-21-19/h4-5,11,14-15,22H,2-3,6-10,12-13H2,1H3
InChIKeyFIIHOEUVGGBUAZ-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.23
Rot. Bonds5

About N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 142582696) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID142582696
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC NameN-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2ncnc3ccc(N4CCOCC4)cc23)C1
InChIInChI=1S/C19H27N5O3S/c1-28(25,26)22-12-15-3-2-6-24(13-15)19-17-11-16(23-7-9-27-10-8-23)4-5-18(17)20-14-21-19/h4-5,11,14-15,22H,2-3,6-10,12-13H2,1H3
InChIKeyFIIHOEUVGGBUAZ-UHFFFAOYSA-N
XLogP1.23
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (CID 142582696) is N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(c2ncnc3ccc(N4CCOCC4)cc23)C1.
What is the InChIKey of N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is FIIHOEUVGGBUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-28(25,26)22-12-15-3-2-6-24(13-15)19-17-11-16(23-7-9-27-10-8-23)4-5-18(17)20-14-21-19/h4-5,11,14-15,22H,2-3,6-10,12-13H2,1H3.
What are the key properties of N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 142582696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).