3-(3,5-dimethylpiperidin-1-yl)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide

C31H36N6O3S — CID 59262763

IUPAC3-(3,5-dimethylpiperidin-1-yl)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide
SMILESCC1CC(C)CN(CCC(=O)Nc2cccc(Nc3ncc4ccc5sc(C(=O)N6CCOCC6)cc5c4n3)c2)C1
InChIInChI=1S/C31H36N6O3S/c1-20-14-21(2)19-36(18-20)9-8-28(38)33-23-4-3-5-24(15-23)34-31-32-17-22-6-7-26-25(29(22)35-31)16-27(41-26)30(39)37-10-12-40-13-11-37/h3-7,15-17,20-21H,8-14,18-19H2,1-2H3,(H,33,38)(H,32,34,35)
InChIKeyGZVPUJYFDBQJQP-UHFFFAOYSA-N
MW572.74 g/mol
LogP5.37
Rot. Bonds7

About 3-(3,5-dimethylpiperidin-1-yl)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide

3-(3,5-dimethylpiperidin-1-yl)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide (PubChem CID 59262763) has the molecular formula C31H36N6O3S and a molecular weight of 572.74 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide
PubChem CID59262763
Molecular FormulaC31H36N6O3S
Molecular Weight572.74 g/mol
Exact Mass572.26
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide
SMILESCC1CC(C)CN(CCC(=O)Nc2cccc(Nc3ncc4ccc5sc(C(=O)N6CCOCC6)cc5c4n3)c2)C1
InChIInChI=1S/C31H36N6O3S/c1-20-14-21(2)19-36(18-20)9-8-28(38)33-23-4-3-5-24(15-23)34-31-32-17-22-6-7-26-25(29(22)35-31)16-27(41-26)30(39)37-10-12-40-13-11-37/h3-7,15-17,20-21H,8-14,18-19H2,1-2H3,(H,33,38)(H,32,34,35)
InChIKeyGZVPUJYFDBQJQP-UHFFFAOYSA-N
XLogP5.37
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.74
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(3,5-dimethylpiperidin-1-yl)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide 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 3-(3,5-dimethylpiperidin-1-yl)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide (CID 59262763) is 3-(3,5-dimethylpiperidin-1-yl)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide is CC1CC(C)CN(CCC(=O)Nc2cccc(Nc3ncc4ccc5sc(C(=O)N6CCOCC6)cc5c4n3)c2)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide?
The InChIKey is GZVPUJYFDBQJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O3S/c1-20-14-21(2)19-36(18-20)9-8-28(38)33-23-4-3-5-24(15-23)34-31-32-17-22-6-7-26-25(29(22)35-31)16-27(41-26)30(39)37-10-12-40-13-11-37/h3-7,15-17,20-21H,8-14,18-19H2,1-2H3,(H,33,38)(H,32,34,35).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide?
3-(3,5-dimethylpiperidin-1-yl)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide has a molecular weight of 572.74 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide is sourced from PubChem (CID 59262763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).