N-[(3,4-difluorophenyl)methyl]-2-morpholin-4-yl-7-thiophen-2-ylquinazolin-4-amine

C23H20F2N4OS — CID 162673337

IUPACN-[(3,4-difluorophenyl)methyl]-2-morpholin-4-yl-7-thiophen-2-ylquinazolin-4-amine
SMILESFc1ccc(CNc2nc(N3CCOCC3)nc3cc(-c4cccs4)ccc23)cc1F
InChIInChI=1S/C23H20F2N4OS/c24-18-6-3-15(12-19(18)25)14-26-22-17-5-4-16(21-2-1-11-31-21)13-20(17)27-23(28-22)29-7-9-30-10-8-29/h1-6,11-13H,7-10,14H2,(H,26,27,28)
InChIKeyOPZCPHNZTMZSPX-UHFFFAOYSA-N
MW438.50 g/mol
LogP5.09
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-2-morpholin-4-yl-7-thiophen-2-ylquinazolin-4-amine

N-[(3,4-difluorophenyl)methyl]-2-morpholin-4-yl-7-thiophen-2-ylquinazolin-4-amine (PubChem CID 162673337) has the molecular formula C23H20F2N4OS and a molecular weight of 438.50 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-morpholin-4-yl-7-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-morpholin-4-yl-7-thiophen-2-ylquinazolin-4-amine
PubChem CID162673337
Molecular FormulaC23H20F2N4OS
Molecular Weight438.50 g/mol
Exact Mass438.13
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-morpholin-4-yl-7-thiophen-2-ylquinazolin-4-amine
SMILESFc1ccc(CNc2nc(N3CCOCC3)nc3cc(-c4cccs4)ccc23)cc1F
InChIInChI=1S/C23H20F2N4OS/c24-18-6-3-15(12-19(18)25)14-26-22-17-5-4-16(21-2-1-11-31-21)13-20(17)27-23(28-22)29-7-9-30-10-8-29/h1-6,11-13H,7-10,14H2,(H,26,27,28)
InChIKeyOPZCPHNZTMZSPX-UHFFFAOYSA-N
XLogP5.09
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-morpholin-4-yl-7-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-morpholin-4-yl-7-thiophen-2-ylquinazolin-4-amine (CID 162673337) is N-[(3,4-difluorophenyl)methyl]-2-morpholin-4-yl-7-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-morpholin-4-yl-7-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-morpholin-4-yl-7-thiophen-2-ylquinazolin-4-amine is Fc1ccc(CNc2nc(N3CCOCC3)nc3cc(-c4cccs4)ccc23)cc1F.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-morpholin-4-yl-7-thiophen-2-ylquinazolin-4-amine?
The InChIKey is OPZCPHNZTMZSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4OS/c24-18-6-3-15(12-19(18)25)14-26-22-17-5-4-16(21-2-1-11-31-21)13-20(17)27-23(28-22)29-7-9-30-10-8-29/h1-6,11-13H,7-10,14H2,(H,26,27,28).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-morpholin-4-yl-7-thiophen-2-ylquinazolin-4-amine?
N-[(3,4-difluorophenyl)methyl]-2-morpholin-4-yl-7-thiophen-2-ylquinazolin-4-amine has a molecular weight of 438.50 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-morpholin-4-yl-7-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 162673337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).