(1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol

C22H30N6O2 — CID 71203426

IUPAC(1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
SMILESCN1CCN=C1C(O)C1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1
InChIInChI=1S/C22H30N6O2/c1-26-8-6-23-22(26)20(29)16-3-2-7-28(14-16)21-18-5-4-17(13-19(18)24-15-25-21)27-9-11-30-12-10-27/h4-5,13,15-16,20,29H,2-3,6-12,14H2,1H3
InChIKeyYBNKMMMLLXTGPU-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.39
Rot. Bonds4

About (1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol

(1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol (PubChem CID 71203426) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is (1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name(1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
PubChem CID71203426
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name(1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
SMILESCN1CCN=C1C(O)C1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1
InChIInChI=1S/C22H30N6O2/c1-26-8-6-23-22(26)20(29)16-3-2-7-28(14-16)21-18-5-4-17(13-19(18)24-15-25-21)27-9-11-30-12-10-27/h4-5,13,15-16,20,29H,2-3,6-12,14H2,1H3
InChIKeyYBNKMMMLLXTGPU-UHFFFAOYSA-N
XLogP1.39
TPSA77.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol with MolForge

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Related Compounds

(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-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol
CID 123428635
4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 53467766
(R)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol
CID 71571150
6-[hydroxy-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methyl]pyridazine-3-carboxylic acid
CID 123268540
4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 53467982
4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71202760
(1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol
CID 90417459
(5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol
CID 123371313
[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol
CID 123272311
4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71202759

Frequently Asked Questions

What is the IUPAC name of (1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of (1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol (CID 71203426) is (1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for (1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for (1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol is CN1CCN=C1C(O)C1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.
What is the InChIKey of (1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol?
The InChIKey is YBNKMMMLLXTGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-26-8-6-23-22(26)20(29)16-3-2-7-28(14-16)21-18-5-4-17(13-19(18)24-15-25-21)27-9-11-30-12-10-27/h4-5,13,15-16,20,29H,2-3,6-12,14H2,1H3.
What are the key properties of (1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol?
(1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol has a molecular weight of 410.52 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 71203426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).