N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine

C22H26N6O2S — CID 123203019

IUPACN-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine
SMILESCON=C(c1nccs1)C1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1
InChIInChI=1S/C22H26N6O2S/c1-29-26-20(22-23-6-12-31-22)16-3-2-7-28(14-16)21-18-5-4-17(13-19(18)24-15-25-21)27-8-10-30-11-9-27/h4-6,12-13,15-16H,2-3,7-11,14H2,1H3
InChIKeyUFIZLDTWZHBWCF-UHFFFAOYSA-N
MW438.56 g/mol
LogP3.19
Rot. Bonds5

About N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine

N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine (PubChem CID 123203019) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine.

Molecular Properties

Compound NameN-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine
PubChem CID123203019
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC NameN-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine
SMILESCON=C(c1nccs1)C1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1
InChIInChI=1S/C22H26N6O2S/c1-29-26-20(22-23-6-12-31-22)16-3-2-7-28(14-16)21-18-5-4-17(13-19(18)24-15-25-21)27-8-10-30-11-9-27/h4-6,12-13,15-16H,2-3,7-11,14H2,1H3
InChIKeyUFIZLDTWZHBWCF-UHFFFAOYSA-N
XLogP3.19
TPSA75.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71202759
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
4-[4-[3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71203364
(1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 71203426
(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
4-(7-thiophen-2-ylquinazolin-4-yl)morpholine
CID 123590034
7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
CID 110433305
1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103194356

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine?
The IUPAC name of N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine (CID 123203019) is N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine.
What is the SMILES notation for N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine?
The canonical SMILES for N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine is CON=C(c1nccs1)C1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.
What is the InChIKey of N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine?
The InChIKey is UFIZLDTWZHBWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-29-26-20(22-23-6-12-31-22)16-3-2-7-28(14-16)21-18-5-4-17(13-19(18)24-15-25-21)27-8-10-30-11-9-27/h4-6,12-13,15-16H,2-3,7-11,14H2,1H3.
What are the key properties of N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine?
N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine has a molecular weight of 438.56 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine is sourced from PubChem (CID 123203019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).