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

C21H26N6O4S — CID 155513615

IUPACN-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C21H26N6O4S/c1-30-21-19(26-32(2,28)29)12-16(13-23-21)15-3-4-18-17(11-15)20(25-14-24-18)22-5-6-27-7-9-31-10-8-27/h3-4,11-14,26H,5-10H2,1-2H3,(H,22,24,25)
InChIKeyGCNQAYUBPBOCDS-UHFFFAOYSA-N
MW458.54 g/mol
LogP1.82
Rot. Bonds8

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

N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 155513615) has the molecular formula C21H26N6O4S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
PubChem CID155513615
Molecular FormulaC21H26N6O4S
Molecular Weight458.54 g/mol
Exact Mass458.17
IUPAC NameN-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C21H26N6O4S/c1-30-21-19(26-32(2,28)29)12-16(13-23-21)15-3-4-18-17(11-15)20(25-14-24-18)22-5-6-27-7-9-31-10-8-27/h3-4,11-14,26H,5-10H2,1-2H3,(H,22,24,25)
InChIKeyGCNQAYUBPBOCDS-UHFFFAOYSA-N
XLogP1.82
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide (CID 155513615) is N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide is COc1ncc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is GCNQAYUBPBOCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4S/c1-30-21-19(26-32(2,28)29)12-16(13-23-21)15-3-4-18-17(11-15)20(25-14-24-18)22-5-6-27-7-9-31-10-8-27/h3-4,11-14,26H,5-10H2,1-2H3,(H,22,24,25).
What are the key properties of N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide?
N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 458.54 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 155513615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).