4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine

C22H27N5O2S — CID 71202760

IUPAC4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCOc1cnc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1
InChIInChI=1S/C22H27N5O2S/c1-28-21-13-23-20(30-21)11-16-3-2-6-27(14-16)22-18-5-4-17(12-19(18)24-15-25-22)26-7-9-29-10-8-26/h4-5,12-13,15-16H,2-3,6-11,14H2,1H3
InChIKeyIBCXOVLXZMCLKW-UHFFFAOYSA-N
MW425.56 g/mol
LogP3.39
Rot. Bonds5

About 4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine

4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 71202760) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID71202760
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCOc1cnc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1
InChIInChI=1S/C22H27N5O2S/c1-28-21-13-23-20(30-21)11-16-3-2-6-27(14-16)22-18-5-4-17(12-19(18)24-15-25-22)26-7-9-29-10-8-26/h4-5,12-13,15-16H,2-3,6-11,14H2,1H3
InChIKeyIBCXOVLXZMCLKW-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-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine with MolForge

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Related Compounds

4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71202759
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
7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline
CID 86949423
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-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
CID 110433305
(5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol
CID 123371313
N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 142582779

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine (CID 71202760) is 4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine is COc1cnc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1.
What is the InChIKey of 4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is IBCXOVLXZMCLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-28-21-13-23-20(30-21)11-16-3-2-6-27(14-16)22-18-5-4-17(12-19(18)24-15-25-22)26-7-9-29-10-8-26/h4-5,12-13,15-16H,2-3,6-11,14H2,1H3.
What are the key properties of 4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[4-[3-[(5-methoxy-1,3-thiazol-2-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-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 71202760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).