2-morpholin-4-yl-N-[5-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)-2-(trifluoromethoxy)phenyl]propanamide

C27H24F3N5O4 — CID 138504906

IUPAC2-morpholin-4-yl-N-[5-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)-2-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1cc(-n2cnc3cc(-c4cccnc4)ccc3c2=O)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C27H24F3N5O4/c1-17(34-9-11-38-12-10-34)25(36)33-23-14-20(5-7-24(23)39-27(28,29)30)35-16-32-22-13-18(4-6-21(22)26(35)37)19-3-2-8-31-15-19/h2-8,13-17H,9-12H2,1H3,(H,33,36)
InChIKeyLKZJQVYAIFCCSD-UHFFFAOYSA-N
MW539.51 g/mol
LogP4.01
Rot. Bonds6

About 2-morpholin-4-yl-N-[5-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)-2-(trifluoromethoxy)phenyl]propanamide

2-morpholin-4-yl-N-[5-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)-2-(trifluoromethoxy)phenyl]propanamide (PubChem CID 138504906) has the molecular formula C27H24F3N5O4 and a molecular weight of 539.51 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[5-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)-2-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[5-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)-2-(trifluoromethoxy)phenyl]propanamide
PubChem CID138504906
Molecular FormulaC27H24F3N5O4
Molecular Weight539.51 g/mol
Exact Mass539.18
IUPAC Name2-morpholin-4-yl-N-[5-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)-2-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1cc(-n2cnc3cc(-c4cccnc4)ccc3c2=O)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C27H24F3N5O4/c1-17(34-9-11-38-12-10-34)25(36)33-23-14-20(5-7-24(23)39-27(28,29)30)35-16-32-22-13-18(4-6-21(22)26(35)37)19-3-2-8-31-15-19/h2-8,13-17H,9-12H2,1H3,(H,33,36)
InChIKeyLKZJQVYAIFCCSD-UHFFFAOYSA-N
XLogP4.01
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-morpholin-4-yl-N-[5-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)-2-(trifluoromethoxy)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

Related Compounds

CID 16748274
CID 16748274
CID 5311130
CID 5311130
CID 9938326
CID 9938326
CID 53321959
CID 53321959
CID 16105555
CID 16105555
CID 44455870
CID 44455870
CID 9865842
CID 9865842
CID 44426711
CID 44426711
CID 44426723
CID 44426723
CID 44426724
CID 44426724
CID 46883287
CID 46883287
CID 46883290
CID 46883290

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[5-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)-2-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-morpholin-4-yl-N-[5-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)-2-(trifluoromethoxy)phenyl]propanamide (CID 138504906) is 2-morpholin-4-yl-N-[5-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)-2-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[5-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)-2-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-morpholin-4-yl-N-[5-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)-2-(trifluoromethoxy)phenyl]propanamide is CC(C(=O)Nc1cc(-n2cnc3cc(-c4cccnc4)ccc3c2=O)ccc1OC(F)(F)F)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[5-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)-2-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is LKZJQVYAIFCCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O4/c1-17(34-9-11-38-12-10-34)25(36)33-23-14-20(5-7-24(23)39-27(28,29)30)35-16-32-22-13-18(4-6-21(22)26(35)37)19-3-2-8-31-15-19/h2-8,13-17H,9-12H2,1H3,(H,33,36).
What are the key properties of 2-morpholin-4-yl-N-[5-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)-2-(trifluoromethoxy)phenyl]propanamide?
2-morpholin-4-yl-N-[5-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)-2-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 539.51 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[5-(4-oxo-7-pyridin-3-ylquinazolin-3-yl)-2-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 138504906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).