4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine

C22H27N5O2S — CID 71202759

IUPAC4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCOc1nc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cs1
InChIInChI=1S/C22H27N5O2S/c1-28-22-25-17(14-30-22)11-16-3-2-6-27(13-16)21-19-5-4-18(12-20(19)23-15-24-21)26-7-9-29-10-8-26/h4-5,12,14-16H,2-3,6-11,13H2,1H3
InChIKeyZHOHJTKKEJUVRO-UHFFFAOYSA-N
MW425.56 g/mol
LogP3.39
Rot. Bonds5

About 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine

4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 71202759) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID71202759
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCOc1nc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cs1
InChIInChI=1S/C22H27N5O2S/c1-28-22-25-17(14-30-22)11-16-3-2-6-27(13-16)21-19-5-4-18(12-20(19)23-15-24-21)26-7-9-29-10-8-26/h4-5,12,14-16H,2-3,6-11,13H2,1H3
InChIKeyZHOHJTKKEJUVRO-UHFFFAOYSA-N
XLogP3.39
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine with MolForge

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Related Compounds

4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71202760
4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 53467982
4-[4-[3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71203364
N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine
CID 123203019
4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 53467766
(S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 71203396
(1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 71203426
4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 158251255
7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline
CID 86949423
7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
CID 110433305
(R)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol
CID 71571150
[(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 97018091

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine (CID 71202759) is 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine is COc1nc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cs1.
What is the InChIKey of 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is ZHOHJTKKEJUVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-28-22-25-17(14-30-22)11-16-3-2-6-27(13-16)21-19-5-4-18(12-20(19)23-15-24-21)26-7-9-29-10-8-26/h4-5,12,14-16H,2-3,6-11,13H2,1H3.
What are the key properties of 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 425.56 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 71202759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).