N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide

C22H25FN4O — CID 86305545

IUPACN-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide
SMILESCCN(C(=O)C(C)C)c1ccc(CCNc2ncnc3ccc(F)cc23)cc1
InChIInChI=1S/C22H25FN4O/c1-4-27(22(28)15(2)3)18-8-5-16(6-9-18)11-12-24-21-19-13-17(23)7-10-20(19)25-14-26-21/h5-10,13-15H,4,11-12H2,1-3H3,(H,24,25,26)
InChIKeyGMHYWSBOUZYLGM-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.43
Rot. Bonds7

About N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide

N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide (PubChem CID 86305545) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide
PubChem CID86305545
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC NameN-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide
SMILESCCN(C(=O)C(C)C)c1ccc(CCNc2ncnc3ccc(F)cc23)cc1
InChIInChI=1S/C22H25FN4O/c1-4-27(22(28)15(2)3)18-8-5-16(6-9-18)11-12-24-21-19-13-17(23)7-10-20(19)25-14-26-21/h5-10,13-15H,4,11-12H2,1-3H3,(H,24,25,26)
InChIKeyGMHYWSBOUZYLGM-UHFFFAOYSA-N
XLogP4.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide (CID 86305545) is N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide is CCN(C(=O)C(C)C)c1ccc(CCNc2ncnc3ccc(F)cc23)cc1.
What is the InChIKey of N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide?
The InChIKey is GMHYWSBOUZYLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-4-27(22(28)15(2)3)18-8-5-16(6-9-18)11-12-24-21-19-13-17(23)7-10-20(19)25-14-26-21/h5-10,13-15H,4,11-12H2,1-3H3,(H,24,25,26).
What are the key properties of N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide?
N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide has a molecular weight of 380.47 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 86305545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).