1-[7-(4,5-dimethyl-1,2,4-triazol-3-yl)quinazolin-2-yl]-3-morpholin-4-ylpropan-2-one

C19H22N6O2 — CID 159106347

IUPAC1-[7-(4,5-dimethyl-1,2,4-triazol-3-yl)quinazolin-2-yl]-3-morpholin-4-ylpropan-2-one
SMILESCc1nnc(-c2ccc3cnc(CC(=O)CN4CCOCC4)nc3c2)n1C
InChIInChI=1S/C19H22N6O2/c1-13-22-23-19(24(13)2)14-3-4-15-11-20-18(21-17(15)9-14)10-16(26)12-25-5-7-27-8-6-25/h3-4,9,11H,5-8,10,12H2,1-2H3
InChIKeyKDXYOVBKDQSQGB-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.18
Rot. Bonds5

About 1-[7-(4,5-dimethyl-1,2,4-triazol-3-yl)quinazolin-2-yl]-3-morpholin-4-ylpropan-2-one

1-[7-(4,5-dimethyl-1,2,4-triazol-3-yl)quinazolin-2-yl]-3-morpholin-4-ylpropan-2-one (PubChem CID 159106347) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[7-(4,5-dimethyl-1,2,4-triazol-3-yl)quinazolin-2-yl]-3-morpholin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-[7-(4,5-dimethyl-1,2,4-triazol-3-yl)quinazolin-2-yl]-3-morpholin-4-ylpropan-2-one
PubChem CID159106347
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-[7-(4,5-dimethyl-1,2,4-triazol-3-yl)quinazolin-2-yl]-3-morpholin-4-ylpropan-2-one
SMILESCc1nnc(-c2ccc3cnc(CC(=O)CN4CCOCC4)nc3c2)n1C
InChIInChI=1S/C19H22N6O2/c1-13-22-23-19(24(13)2)14-3-4-15-11-20-18(21-17(15)9-14)10-16(26)12-25-5-7-27-8-6-25/h3-4,9,11H,5-8,10,12H2,1-2H3
InChIKeyKDXYOVBKDQSQGB-UHFFFAOYSA-N
XLogP1.18
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(4,5-dimethyl-1,2,4-triazol-3-yl)quinazolin-2-yl]-3-morpholin-4-ylpropan-2-one?
The IUPAC name of 1-[7-(4,5-dimethyl-1,2,4-triazol-3-yl)quinazolin-2-yl]-3-morpholin-4-ylpropan-2-one (CID 159106347) is 1-[7-(4,5-dimethyl-1,2,4-triazol-3-yl)quinazolin-2-yl]-3-morpholin-4-ylpropan-2-one.
What is the SMILES notation for 1-[7-(4,5-dimethyl-1,2,4-triazol-3-yl)quinazolin-2-yl]-3-morpholin-4-ylpropan-2-one?
The canonical SMILES for 1-[7-(4,5-dimethyl-1,2,4-triazol-3-yl)quinazolin-2-yl]-3-morpholin-4-ylpropan-2-one is Cc1nnc(-c2ccc3cnc(CC(=O)CN4CCOCC4)nc3c2)n1C.
What is the InChIKey of 1-[7-(4,5-dimethyl-1,2,4-triazol-3-yl)quinazolin-2-yl]-3-morpholin-4-ylpropan-2-one?
The InChIKey is KDXYOVBKDQSQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-22-23-19(24(13)2)14-3-4-15-11-20-18(21-17(15)9-14)10-16(26)12-25-5-7-27-8-6-25/h3-4,9,11H,5-8,10,12H2,1-2H3.
What are the key properties of 1-[7-(4,5-dimethyl-1,2,4-triazol-3-yl)quinazolin-2-yl]-3-morpholin-4-ylpropan-2-one?
1-[7-(4,5-dimethyl-1,2,4-triazol-3-yl)quinazolin-2-yl]-3-morpholin-4-ylpropan-2-one has a molecular weight of 366.43 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4,5-dimethyl-1,2,4-triazol-3-yl)quinazolin-2-yl]-3-morpholin-4-ylpropan-2-one is sourced from PubChem (CID 159106347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).