N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)propanamide

C20H19ClFN3O3 — CID 135875280

IUPACN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)propanamide
SMILESCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C20H19ClFN3O3/c1-3-25(20(27)12(2)28-15-7-5-14(22)6-8-15)11-18-23-17-10-13(21)4-9-16(17)19(26)24-18/h4-10,12H,3,11H2,1-2H3,(H,23,24,26)
InChIKeyLUUKIRGMKGFBMY-UHFFFAOYSA-N
MW403.84 g/mol
LogP3.53
Rot. Bonds6

About N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)propanamide

N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)propanamide (PubChem CID 135875280) has the molecular formula C20H19ClFN3O3 and a molecular weight of 403.84 g/mol. Its IUPAC name is N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)propanamide
PubChem CID135875280
Molecular FormulaC20H19ClFN3O3
Molecular Weight403.84 g/mol
Exact Mass403.11
IUPAC NameN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)propanamide
SMILESCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C20H19ClFN3O3/c1-3-25(20(27)12(2)28-15-7-5-14(22)6-8-15)11-18-23-17-10-13(21)4-9-16(17)19(26)24-18/h4-10,12H,3,11H2,1-2H3,(H,23,24,26)
InChIKeyLUUKIRGMKGFBMY-UHFFFAOYSA-N
XLogP3.53
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)propanamide 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 N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)propanamide?
The IUPAC name of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)propanamide (CID 135875280) is N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)propanamide is CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C(C)Oc1ccc(F)cc1.
What is the InChIKey of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)propanamide?
The InChIKey is LUUKIRGMKGFBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O3/c1-3-25(20(27)12(2)28-15-7-5-14(22)6-8-15)11-18-23-17-10-13(21)4-9-16(17)19(26)24-18/h4-10,12H,3,11H2,1-2H3,(H,23,24,26).
What are the key properties of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)propanamide?
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)propanamide has a molecular weight of 403.84 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 135875280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).