N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide

C23H26FN3O2 — CID 137282635

IUPACN-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide
SMILESCCCCCN(Cc1ccc(F)cc1)C(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H26FN3O2/c1-2-3-6-15-27(16-17-9-11-18(24)12-10-17)22(28)14-13-21-25-20-8-5-4-7-19(20)23(29)26-21/h4-5,7-12H,2-3,6,13-16H2,1H3,(H,25,26,29)
InChIKeyDNDFHJTYKJSUTA-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.21
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide

N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide (PubChem CID 137282635) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide
PubChem CID137282635
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide
SMILESCCCCCN(Cc1ccc(F)cc1)C(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H26FN3O2/c1-2-3-6-15-27(16-17-9-11-18(24)12-10-17)22(28)14-13-21-25-20-8-5-4-7-19(20)23(29)26-21/h4-5,7-12H,2-3,6,13-16H2,1H3,(H,25,26,29)
InChIKeyDNDFHJTYKJSUTA-UHFFFAOYSA-N
XLogP4.21
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide (CID 137282635) is N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide is CCCCCN(Cc1ccc(F)cc1)C(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide?
The InChIKey is DNDFHJTYKJSUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-2-3-6-15-27(16-17-9-11-18(24)12-10-17)22(28)14-13-21-25-20-8-5-4-7-19(20)23(29)26-21/h4-5,7-12H,2-3,6,13-16H2,1H3,(H,25,26,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide?
N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide has a molecular weight of 395.48 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide is sourced from PubChem (CID 137282635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).