2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone

C18H18N4O2S — CID 159565565

IUPAC2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)N4CCOCC4)nc3c2)s1
InChIInChI=1S/C18H18N4O2S/c1-12-19-11-16(25-12)13-2-3-14-10-20-17(21-15(14)8-13)9-18(23)22-4-6-24-7-5-22/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyMHDPXXVAQFHQNT-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.46
Rot. Bonds3

About 2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone

2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone (PubChem CID 159565565) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone
PubChem CID159565565
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)N4CCOCC4)nc3c2)s1
InChIInChI=1S/C18H18N4O2S/c1-12-19-11-16(25-12)13-2-3-14-10-20-17(21-15(14)8-13)9-18(23)22-4-6-24-7-5-22/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyMHDPXXVAQFHQNT-UHFFFAOYSA-N
XLogP2.46
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone (CID 159565565) is 2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone is Cc1ncc(-c2ccc3cnc(CC(=O)N4CCOCC4)nc3c2)s1.
What is the InChIKey of 2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone?
The InChIKey is MHDPXXVAQFHQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-12-19-11-16(25-12)13-2-3-14-10-20-17(21-15(14)8-13)9-18(23)22-4-6-24-7-5-22/h2-3,8,10-11H,4-7,9H2,1H3.
What are the key properties of 2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone?
2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 354.44 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 159565565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).