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

C20H20FN3O2 — CID 135429080

IUPACN-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
SMILESCC(C)C(=O)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H20FN3O2/c1-13(2)20(26)24(11-14-7-9-15(21)10-8-14)12-18-22-17-6-4-3-5-16(17)19(25)23-18/h3-10,13H,11-12H2,1-2H3,(H,22,23,25)
InChIKeyGGTFLDPTFNBCMW-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.25
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (PubChem CID 135429080) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
PubChem CID135429080
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
SMILESCC(C)C(=O)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H20FN3O2/c1-13(2)20(26)24(11-14-7-9-15(21)10-8-14)12-18-22-17-6-4-3-5-16(17)19(25)23-18/h3-10,13H,11-12H2,1-2H3,(H,22,23,25)
InChIKeyGGTFLDPTFNBCMW-UHFFFAOYSA-N
XLogP3.25
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (CID 135429080) is N-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is CC(C)C(=O)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The InChIKey is GGTFLDPTFNBCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13(2)20(26)24(11-14-7-9-15(21)10-8-14)12-18-22-17-6-4-3-5-16(17)19(25)23-18/h3-10,13H,11-12H2,1-2H3,(H,22,23,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
N-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide has a molecular weight of 353.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is sourced from PubChem (CID 135429080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).