N-[(4-fluoro-3-methylphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C20H20FN3O2 — CID 135938306

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCc1cc(CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)ccc1F
InChIInChI=1S/C20H20FN3O2/c1-13-11-14(9-10-16(13)21)12-22-19(25)8-4-7-18-23-17-6-3-2-5-15(17)20(26)24-18/h2-3,5-6,9-11H,4,7-8,12H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyFYEDUZHRSBHDJO-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.01
Rot. Bonds6

About N-[(4-fluoro-3-methylphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-[(4-fluoro-3-methylphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 135938306) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID135938306
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCc1cc(CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)ccc1F
InChIInChI=1S/C20H20FN3O2/c1-13-11-14(9-10-16(13)21)12-22-19(25)8-4-7-18-23-17-6-3-2-5-15(17)20(26)24-18/h2-3,5-6,9-11H,4,7-8,12H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyFYEDUZHRSBHDJO-UHFFFAOYSA-N
XLogP3.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 135938306) is N-[(4-fluoro-3-methylphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is Cc1cc(CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is FYEDUZHRSBHDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13-11-14(9-10-16(13)21)12-22-19(25)8-4-7-18-23-17-6-3-2-5-15(17)20(26)24-18/h2-3,5-6,9-11H,4,7-8,12H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-[(4-fluoro-3-methylphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 353.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135938306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).