N-[2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide

C22H28N6O3S — CID 155528005

IUPACN-[2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc3ncnc(NCCN4CCCCC4)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C22H28N6O3S/c1-31-22-20(27-32(2,29)30)13-17(14-24-22)16-6-7-19-18(12-16)21(26-15-25-19)23-8-11-28-9-4-3-5-10-28/h6-7,12-15,27H,3-5,8-11H2,1-2H3,(H,23,25,26)
InChIKeyGKGFBPSWYYWNMK-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.97
Rot. Bonds8

About N-[2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide

N-[2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 155528005) has the molecular formula C22H28N6O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
PubChem CID155528005
Molecular FormulaC22H28N6O3S
Molecular Weight456.57 g/mol
Exact Mass456.19
IUPAC NameN-[2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc3ncnc(NCCN4CCCCC4)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C22H28N6O3S/c1-31-22-20(27-32(2,29)30)13-17(14-24-22)16-6-7-19-18(12-16)21(26-15-25-19)23-8-11-28-9-4-3-5-10-28/h6-7,12-15,27H,3-5,8-11H2,1-2H3,(H,23,25,26)
InChIKeyGKGFBPSWYYWNMK-UHFFFAOYSA-N
XLogP2.97
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide (CID 155528005) is N-[2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide is COc1ncc(-c2ccc3ncnc(NCCN4CCCCC4)c3c2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is GKGFBPSWYYWNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3S/c1-31-22-20(27-32(2,29)30)13-17(14-24-22)16-6-7-19-18(12-16)21(26-15-25-19)23-8-11-28-9-4-3-5-10-28/h6-7,12-15,27H,3-5,8-11H2,1-2H3,(H,23,25,26).
What are the key properties of N-[2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide?
N-[2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 456.57 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 155528005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).