morpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone

C30H30N4O2S — CID 57395267

IUPACmorpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone
SMILESO=C(c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1)N1CCOCC1
InChIInChI=1S/C30H30N4O2S/c35-30(34-15-17-36-18-16-34)25-8-6-22(7-9-25)28(27-5-1-3-24-4-2-12-31-29(24)27)23-10-13-33(14-11-23)19-26-20-37-21-32-26/h1-9,12,20-21H,10-11,13-19H2
InChIKeyHFWSSTSNALJTOM-UHFFFAOYSA-N
MW510.66 g/mol
LogP5.26
Rot. Bonds5

About morpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone

morpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone (PubChem CID 57395267) has the molecular formula C30H30N4O2S and a molecular weight of 510.66 g/mol. Its IUPAC name is morpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone
PubChem CID57395267
Molecular FormulaC30H30N4O2S
Molecular Weight510.66 g/mol
Exact Mass510.21
IUPAC Namemorpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone
SMILESO=C(c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1)N1CCOCC1
InChIInChI=1S/C30H30N4O2S/c35-30(34-15-17-36-18-16-34)25-8-6-22(7-9-25)28(27-5-1-3-24-4-2-12-31-29(24)27)23-10-13-33(14-11-23)19-26-20-37-21-32-26/h1-9,12,20-21H,10-11,13-19H2
InChIKeyHFWSSTSNALJTOM-UHFFFAOYSA-N
XLogP5.26
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.66
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze morpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone (CID 57395267) is morpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone is O=C(c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone?
The InChIKey is HFWSSTSNALJTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2S/c35-30(34-15-17-36-18-16-34)25-8-6-22(7-9-25)28(27-5-1-3-24-4-2-12-31-29(24)27)23-10-13-33(14-11-23)19-26-20-37-21-32-26/h1-9,12,20-21H,10-11,13-19H2.
What are the key properties of morpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone?
morpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone has a molecular weight of 510.66 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone is sourced from PubChem (CID 57395267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).