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

C26H28N6O3S — CID 59262761

IUPAC3-(dimethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide
SMILESCN(C)CCC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCOCC5)cc4c3n2)c1
InChIInChI=1S/C26H28N6O3S/c1-31(2)9-8-23(33)28-18-4-3-5-19(14-18)29-26-27-16-17-6-7-21-20(24(17)30-26)15-22(36-21)25(34)32-10-12-35-13-11-32/h3-7,14-16H,8-13H2,1-2H3,(H,28,33)(H,27,29,30)
InChIKeyMWPRSHOKEXXIGY-UHFFFAOYSA-N
MW504.62 g/mol
LogP3.95
Rot. Bonds7

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

3-(dimethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide (PubChem CID 59262761) has the molecular formula C26H28N6O3S and a molecular weight of 504.62 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide
PubChem CID59262761
Molecular FormulaC26H28N6O3S
Molecular Weight504.62 g/mol
Exact Mass504.19
IUPAC Name3-(dimethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide
SMILESCN(C)CCC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCOCC5)cc4c3n2)c1
InChIInChI=1S/C26H28N6O3S/c1-31(2)9-8-23(33)28-18-4-3-5-19(14-18)29-26-27-16-17-6-7-21-20(24(17)30-26)15-22(36-21)25(34)32-10-12-35-13-11-32/h3-7,14-16H,8-13H2,1-2H3,(H,28,33)(H,27,29,30)
InChIKeyMWPRSHOKEXXIGY-UHFFFAOYSA-N
XLogP3.95
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.62
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(dimethylamino)-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-(dimethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide (CID 59262761) is 3-(dimethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide is CN(C)CCC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCOCC5)cc4c3n2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide?
The InChIKey is MWPRSHOKEXXIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3S/c1-31(2)9-8-23(33)28-18-4-3-5-19(14-18)29-26-27-16-17-6-7-21-20(24(17)30-26)15-22(36-21)25(34)32-10-12-35-13-11-32/h3-7,14-16H,8-13H2,1-2H3,(H,28,33)(H,27,29,30).
What are the key properties of 3-(dimethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide?
3-(dimethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide has a molecular weight of 504.62 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propanamide is sourced from PubChem (CID 59262761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).