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

C20H19ClFN3O3 — CID 135722327

IUPACN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-fluorophenoxy)-N-propylacetamide
SMILESCCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccccc1F
InChIInChI=1S/C20H19ClFN3O3/c1-2-9-25(19(26)12-28-17-6-4-3-5-15(17)22)11-18-23-16-10-13(21)7-8-14(16)20(27)24-18/h3-8,10H,2,9,11-12H2,1H3,(H,23,24,27)
InChIKeyJAQFAZCVYNBXNP-UHFFFAOYSA-N
MW403.84 g/mol
LogP3.53
Rot. Bonds7

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

N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-fluorophenoxy)-N-propylacetamide (PubChem CID 135722327) 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]-2-(2-fluorophenoxy)-N-propylacetamide.

Molecular Properties

Compound NameN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-fluorophenoxy)-N-propylacetamide
PubChem CID135722327
Molecular FormulaC20H19ClFN3O3
Molecular Weight403.84 g/mol
Exact Mass403.11
IUPAC NameN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-fluorophenoxy)-N-propylacetamide
SMILESCCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccccc1F
InChIInChI=1S/C20H19ClFN3O3/c1-2-9-25(19(26)12-28-17-6-4-3-5-15(17)22)11-18-23-16-10-13(21)7-8-14(16)20(27)24-18/h3-8,10H,2,9,11-12H2,1H3,(H,23,24,27)
InChIKeyJAQFAZCVYNBXNP-UHFFFAOYSA-N
XLogP3.53
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-fluorophenoxy)-N-propylacetamide?
The IUPAC name of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-fluorophenoxy)-N-propylacetamide (CID 135722327) is N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-fluorophenoxy)-N-propylacetamide.
What is the SMILES notation for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-fluorophenoxy)-N-propylacetamide?
The canonical SMILES for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-fluorophenoxy)-N-propylacetamide is CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccccc1F.
What is the InChIKey of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-fluorophenoxy)-N-propylacetamide?
The InChIKey is JAQFAZCVYNBXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O3/c1-2-9-25(19(26)12-28-17-6-4-3-5-15(17)22)11-18-23-16-10-13(21)7-8-14(16)20(27)24-18/h3-8,10H,2,9,11-12H2,1H3,(H,23,24,27).
What are the key properties of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-fluorophenoxy)-N-propylacetamide?
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-fluorophenoxy)-N-propylacetamide has a molecular weight of 403.84 g/mol, XLogP of 3.53, 7 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]-2-(2-fluorophenoxy)-N-propylacetamide is sourced from PubChem (CID 135722327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).