(2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine

C25H22F2N4O — CID 174207775

IUPAC(2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine
SMILESCc1cc([C@H]2CN(c3nc(C)nc4cccc(-c5ccc(F)cc5F)c34)CCO2)ccn1
InChIInChI=1S/C25H22F2N4O/c1-15-12-17(8-9-28-15)23-14-31(10-11-32-23)25-24-20(19-7-6-18(26)13-21(19)27)4-3-5-22(24)29-16(2)30-25/h3-9,12-13,23H,10-11,14H2,1-2H3/t23-/m1/s1
InChIKeyIYYWIFLSRZIYTN-HSZRJFAPSA-N
MW432.47 g/mol
LogP5.16
Rot. Bonds3

About (2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine

(2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine (PubChem CID 174207775) has the molecular formula C25H22F2N4O and a molecular weight of 432.47 g/mol. Its IUPAC name is (2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine
PubChem CID174207775
Molecular FormulaC25H22F2N4O
Molecular Weight432.47 g/mol
Exact Mass432.18
IUPAC Name(2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine
SMILESCc1cc([C@H]2CN(c3nc(C)nc4cccc(-c5ccc(F)cc5F)c34)CCO2)ccn1
InChIInChI=1S/C25H22F2N4O/c1-15-12-17(8-9-28-15)23-14-31(10-11-32-23)25-24-20(19-7-6-18(26)13-21(19)27)4-3-5-22(24)29-16(2)30-25/h3-9,12-13,23H,10-11,14H2,1-2H3/t23-/m1/s1
InChIKeyIYYWIFLSRZIYTN-HSZRJFAPSA-N
XLogP5.16
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine 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 (2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine?
The IUPAC name of (2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine (CID 174207775) is (2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine.
What is the SMILES notation for (2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine?
The canonical SMILES for (2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine is Cc1cc([C@H]2CN(c3nc(C)nc4cccc(-c5ccc(F)cc5F)c34)CCO2)ccn1.
What is the InChIKey of (2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine?
The InChIKey is IYYWIFLSRZIYTN-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H22F2N4O/c1-15-12-17(8-9-28-15)23-14-31(10-11-32-23)25-24-20(19-7-6-18(26)13-21(19)27)4-3-5-22(24)29-16(2)30-25/h3-9,12-13,23H,10-11,14H2,1-2H3/t23-/m1/s1.
What are the key properties of (2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine?
(2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine has a molecular weight of 432.47 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[5-(2,4-difluorophenyl)-2-methylquinazolin-4-yl]-2-(2-methyl-4-pyridinyl)morpholine is sourced from PubChem (CID 174207775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).