2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)-N-methylacetamide

C26H22Cl2FN5O2 — CID 146437458

IUPAC2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)-N-methylacetamide
SMILESCNC(=O)C(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl)c1ncccc1Cl
InChIInChI=1S/C26H22Cl2FN5O2/c1-30-26(35)23(25-19(27)3-2-6-31-25)17-12-18(21(29)13-20(17)28)24-16-5-4-15(11-22(16)32-14-33-24)34-7-9-36-10-8-34/h2-6,11-14,23H,7-10H2,1H3,(H,30,35)
InChIKeyMMFYUQFWOMWBRR-UHFFFAOYSA-N
MW526.40 g/mol
LogP4.85
Rot. Bonds5

About 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)-N-methylacetamide

2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)-N-methylacetamide (PubChem CID 146437458) has the molecular formula C26H22Cl2FN5O2 and a molecular weight of 526.40 g/mol. Its IUPAC name is 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)-N-methylacetamide
PubChem CID146437458
Molecular FormulaC26H22Cl2FN5O2
Molecular Weight526.40 g/mol
Exact Mass525.11
IUPAC Name2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)-N-methylacetamide
SMILESCNC(=O)C(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl)c1ncccc1Cl
InChIInChI=1S/C26H22Cl2FN5O2/c1-30-26(35)23(25-19(27)3-2-6-31-25)17-12-18(21(29)13-20(17)28)24-16-5-4-15(11-22(16)32-14-33-24)34-7-9-36-10-8-34/h2-6,11-14,23H,7-10H2,1H3,(H,30,35)
InChIKeyMMFYUQFWOMWBRR-UHFFFAOYSA-N
XLogP4.85
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.40
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)-N-methylacetamide 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 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)-N-methylacetamide?
The IUPAC name of 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)-N-methylacetamide (CID 146437458) is 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)-N-methylacetamide.
What is the SMILES notation for 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)-N-methylacetamide?
The canonical SMILES for 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)-N-methylacetamide is CNC(=O)C(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1Cl)c1ncccc1Cl.
What is the InChIKey of 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)-N-methylacetamide?
The InChIKey is MMFYUQFWOMWBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2FN5O2/c1-30-26(35)23(25-19(27)3-2-6-31-25)17-12-18(21(29)13-20(17)28)24-16-5-4-15(11-22(16)32-14-33-24)34-7-9-36-10-8-34/h2-6,11-14,23H,7-10H2,1H3,(H,30,35).
What are the key properties of 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)-N-methylacetamide?
2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)-N-methylacetamide has a molecular weight of 526.40 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-chloro-2-pyridinyl)-N-methylacetamide is sourced from PubChem (CID 146437458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).