7-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one

C21H21N5O2S — CID 10319232

IUPAC7-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2cc(CN3CCOCC3)ccc2CN1c1csc(-c2ccncc2)n1
InChIInChI=1S/C21H21N5O2S/c27-21-23-18-11-15(12-25-7-9-28-10-8-25)1-2-17(18)13-26(21)19-14-29-20(24-19)16-3-5-22-6-4-16/h1-6,11,14H,7-10,12-13H2,(H,23,27)
InChIKeyKCGZOQMFGRRYKH-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.59
Rot. Bonds4

About 7-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one

7-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one (PubChem CID 10319232) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 7-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name7-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
PubChem CID10319232
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name7-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2cc(CN3CCOCC3)ccc2CN1c1csc(-c2ccncc2)n1
InChIInChI=1S/C21H21N5O2S/c27-21-23-18-11-15(12-25-7-9-28-10-8-25)1-2-17(18)13-26(21)19-14-29-20(24-19)16-3-5-22-6-4-16/h1-6,11,14H,7-10,12-13H2,(H,23,27)
InChIKeyKCGZOQMFGRRYKH-UHFFFAOYSA-N
XLogP3.59
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 7-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one (CID 10319232) is 7-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 7-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 7-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one is O=C1Nc2cc(CN3CCOCC3)ccc2CN1c1csc(-c2ccncc2)n1.
What is the InChIKey of 7-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The InChIKey is KCGZOQMFGRRYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c27-21-23-18-11-15(12-25-7-9-28-10-8-25)1-2-17(18)13-26(21)19-14-29-20(24-19)16-3-5-22-6-4-16/h1-6,11,14H,7-10,12-13H2,(H,23,27).
What are the key properties of 7-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
7-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one has a molecular weight of 407.50 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 10319232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).